smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c(C[NH+]2CCN(C(=O)CN3CCOCC3)CC2)cc(=O)n(C)c1=O ZINC000010095932 482539372 /nfs/dbraw/zinc/53/93/72/482539372.db2.gz GNXHRGBKRXFFQM-UHFFFAOYSA-N 1 2 365.434 -1.940 20 0 FAADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000012486737 483688480 /nfs/dbraw/zinc/68/84/80/483688480.db2.gz WSTTXUHZDZLDKQ-UHFFFAOYSA-N 1 2 359.390 -1.129 20 0 FAADLO Cn1cc(S(=O)(=O)NCC(C)(C)[NH+]2CCOCC2)c(=O)n(C)c1=O ZINC000014111248 483688507 /nfs/dbraw/zinc/68/85/07/483688507.db2.gz NFXHYGUQCPATKO-UHFFFAOYSA-N 1 2 360.436 -1.527 20 0 FAADLO Cn1cc(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c(=O)n(C)c1=O ZINC000015324870 483690234 /nfs/dbraw/zinc/69/02/34/483690234.db2.gz VMKJTECVJGZUSY-UHFFFAOYSA-N 1 2 365.415 -1.010 20 0 FAADLO Cn1c2ncn(CCC(=O)NCC[NH+]3CCOCC3)c2c(=O)n(C)c1=O ZINC000016206000 483688462 /nfs/dbraw/zinc/68/84/62/483688462.db2.gz JFJBWALJDFNOQM-UHFFFAOYSA-N 1 2 364.406 -1.728 20 0 FAADLO CC(C)(CNC(=O)CN1CCN(S(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC000016438377 483688050 /nfs/dbraw/zinc/68/80/50/483688050.db2.gz IEDZQZQAYZEMEY-UHFFFAOYSA-N 1 2 362.496 -1.209 20 0 FAADLO COC(=O)C[C@H]1C(=O)NCCN1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000020944534 482904172 /nfs/dbraw/zinc/90/41/72/482904172.db2.gz YCKCWIMTZHGIGC-ZDUSSCGKSA-N 1 2 370.450 -1.423 20 0 FAADLO COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000020944538 483689145 /nfs/dbraw/zinc/68/91/45/483689145.db2.gz YCKCWIMTZHGIGC-CYBMUJFWSA-N 1 2 370.450 -1.423 20 0 FAADLO C[C@@H](C(=O)NC(=O)NC1CC1)N1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000022845604 482537181 /nfs/dbraw/zinc/53/71/81/482537181.db2.gz MLTGWOAADZAATP-ZDUSSCGKSA-N 1 2 367.450 -1.161 20 0 FAADLO C[C@H](C(=O)NC(=O)NC1CC1)N1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000022845609 482539385 /nfs/dbraw/zinc/53/93/85/482539385.db2.gz MLTGWOAADZAATP-CYBMUJFWSA-N 1 2 367.450 -1.161 20 0 FAADLO CN(C)C(=O)CN1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000023289602 482646241 /nfs/dbraw/zinc/64/62/41/482646241.db2.gz RQTIGVDEEFWKSK-UHFFFAOYSA-N 1 2 369.510 -1.081 20 0 FAADLO CCCn1c(N)c(C(=O)CN2CC[NH+](CCOC)CC2)c(=O)[nH]c1=O ZINC000023353201 482534482 /nfs/dbraw/zinc/53/44/82/482534482.db2.gz HXSMKCIQSCGEHJ-UHFFFAOYSA-N 1 2 353.423 -1.025 20 0 FAADLO Cn1ncc2c1ncnc2N1CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000023661998 483688753 /nfs/dbraw/zinc/68/87/53/483688753.db2.gz WDDAMDASXTUGTD-UHFFFAOYSA-N 1 2 358.406 -1.556 20 0 FAADLO Cn1c2ncn(CC[NH+]3CCN(C(=O)C4CC4)CC3)c2c(=O)n(C)c1=O ZINC000024594843 483689176 /nfs/dbraw/zinc/68/91/76/483689176.db2.gz XNMWADXNYMKIPN-UHFFFAOYSA-N 1 2 360.418 -1.012 20 0 FAADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)c3cnccn3)CC2)CC1 ZINC000024696896 482549932 /nfs/dbraw/zinc/54/99/32/482549932.db2.gz QFWUEFFHDQSMEI-UHFFFAOYSA-N 1 2 354.436 -1.273 20 0 FAADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)c3nccnc3N)CC2)CC1 ZINC000024698447 482550639 /nfs/dbraw/zinc/55/06/39/482550639.db2.gz QRMHXNJZYIWPRX-UHFFFAOYSA-N 1 2 369.451 -1.691 20 0 FAADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc[nH]c3=O)CC2)CC1 ZINC000024698535 483272526 /nfs/dbraw/zinc/27/25/26/483272526.db2.gz VNJUWLWKCHRSBK-UHFFFAOYSA-N 1 2 369.447 -1.375 20 0 FAADLO COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000024923305 483689078 /nfs/dbraw/zinc/68/90/78/483689078.db2.gz YQZBPEFWLMVLPW-LLVKDONJSA-N 1 2 350.441 -1.186 20 0 FAADLO COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000024923305 483689074 /nfs/dbraw/zinc/68/90/74/483689074.db2.gz YQZBPEFWLMVLPW-LLVKDONJSA-N 1 2 350.441 -1.186 20 0 FAADLO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000024923308 483689010 /nfs/dbraw/zinc/68/90/10/483689010.db2.gz YQZBPEFWLMVLPW-NSHDSACASA-N 1 2 350.441 -1.186 20 0 FAADLO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000024923308 483689008 /nfs/dbraw/zinc/68/90/08/483689008.db2.gz YQZBPEFWLMVLPW-NSHDSACASA-N 1 2 350.441 -1.186 20 0 FAADLO Cn1cnc2c1c(=O)n(CC(=O)NCC[NH+]1CCOCC1)c(=O)n2C ZINC000025386468 482550265 /nfs/dbraw/zinc/55/02/65/482550265.db2.gz LJFITMWQBXFZHC-UHFFFAOYSA-N 1 2 350.379 -2.118 20 0 FAADLO CCNC(=O)C[NH+]1CCN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)CC1 ZINC000025950417 482559679 /nfs/dbraw/zinc/55/96/79/482559679.db2.gz GUGBCWRPIQDUCY-UHFFFAOYSA-N 1 2 363.422 -1.786 20 0 FAADLO COCCn1c(N)c(C(=O)C[N@H+](CC(N)=O)CC(C)C)c(=O)[nH]c1=O ZINC000026127798 482775890 /nfs/dbraw/zinc/77/58/90/482775890.db2.gz UXQIJYDKKGPIHG-UHFFFAOYSA-N 1 2 355.395 -1.609 20 0 FAADLO COCCn1c(N)c(C(=O)C[N@@H+](CC(N)=O)CC(C)C)c(=O)[nH]c1=O ZINC000026127798 482775885 /nfs/dbraw/zinc/77/58/85/482775885.db2.gz UXQIJYDKKGPIHG-UHFFFAOYSA-N 1 2 355.395 -1.609 20 0 FAADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC000026195722 482854555 /nfs/dbraw/zinc/85/45/55/482854555.db2.gz OOBHJGPRCGEZEH-UHFFFAOYSA-N 1 2 358.406 -1.556 20 0 FAADLO O=C(C[NH+]1CCN(CCn2nc3ccccn3c2=O)CC1)N1CCOCC1 ZINC000026906525 483005626 /nfs/dbraw/zinc/00/56/26/483005626.db2.gz PPHZHIOPVPRKLI-UHFFFAOYSA-N 1 2 374.445 -1.028 20 0 FAADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2cc(C(=O)NC)n(C)c2)CC1 ZINC000026975564 482654290 /nfs/dbraw/zinc/65/42/90/482654290.db2.gz VCCPRWPWVDHQTN-UHFFFAOYSA-N 1 2 371.463 -1.127 20 0 FAADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000026976481 482856864 /nfs/dbraw/zinc/85/68/64/482856864.db2.gz NWVDTWHDWYSYLG-UHFFFAOYSA-N 1 2 373.435 -2.427 20 0 FAADLO CN(C)c1nc(N)nc(CN2CC[NH+](CC(=O)N3CCOCC3)CC2)n1 ZINC000027364209 483690136 /nfs/dbraw/zinc/69/01/36/483690136.db2.gz NJOAUBXRXFRQQR-UHFFFAOYSA-N 1 2 364.454 -1.504 20 0 FAADLO CC(=O)N1CCC[N@H+]([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000027564814 483689899 /nfs/dbraw/zinc/68/98/99/483689899.db2.gz IGBHFIDIDZBKNJ-SNVBAGLBSA-N 1 2 351.407 -1.208 20 0 FAADLO CC(=O)N1CCC[N@@H+]([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000027564814 483689896 /nfs/dbraw/zinc/68/98/96/483689896.db2.gz IGBHFIDIDZBKNJ-SNVBAGLBSA-N 1 2 351.407 -1.208 20 0 FAADLO CC(=O)N1CCC[N@H+]([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000027564815 482771636 /nfs/dbraw/zinc/77/16/36/482771636.db2.gz IGBHFIDIDZBKNJ-JTQLQIEISA-N 1 2 351.407 -1.208 20 0 FAADLO CC(=O)N1CCC[N@@H+]([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000027564815 482771632 /nfs/dbraw/zinc/77/16/32/482771632.db2.gz IGBHFIDIDZBKNJ-JTQLQIEISA-N 1 2 351.407 -1.208 20 0 FAADLO CCNC(=O)NC(=O)[C@@H](C)N1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000028729208 483690209 /nfs/dbraw/zinc/69/02/09/483690209.db2.gz CDGIFJAXGFRRAW-CYBMUJFWSA-N 1 2 355.439 -1.303 20 0 FAADLO CCNC(=O)NC(=O)[C@H](C)N1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000028729211 483690041 /nfs/dbraw/zinc/69/00/41/483690041.db2.gz CDGIFJAXGFRRAW-ZDUSSCGKSA-N 1 2 355.439 -1.303 20 0 FAADLO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@H+]2CCNC(=O)C2)cc1 ZINC000028852334 482987186 /nfs/dbraw/zinc/98/71/86/482987186.db2.gz GBZAURGEASOWIS-UHFFFAOYSA-N 1 2 354.432 -1.185 20 0 FAADLO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2CCNC(=O)C2)cc1 ZINC000028852334 482987178 /nfs/dbraw/zinc/98/71/78/482987178.db2.gz GBZAURGEASOWIS-UHFFFAOYSA-N 1 2 354.432 -1.185 20 0 FAADLO COCCn1c(N)c(C(=O)C[NH+]2CCC(C(=O)OC)CC2)c(=O)[nH]c1=O ZINC000028928365 483690290 /nfs/dbraw/zinc/69/02/90/483690290.db2.gz UADRJGJSHVZURI-UHFFFAOYSA-N 1 2 368.390 -1.167 20 0 FAADLO COCCn1c(N)c(C(=O)C[N@@H+](C)Cc2cnn(C)c2)c(=O)[nH]c1=O ZINC000029065949 483690027 /nfs/dbraw/zinc/69/00/27/483690027.db2.gz GNMKNZDCBRWZDG-UHFFFAOYSA-N 1 2 350.379 -1.187 20 0 FAADLO COCCn1c(N)c(C(=O)C[N@H+](C)Cc2cnn(C)c2)c(=O)[nH]c1=O ZINC000029065949 483690024 /nfs/dbraw/zinc/69/00/24/483690024.db2.gz GNMKNZDCBRWZDG-UHFFFAOYSA-N 1 2 350.379 -1.187 20 0 FAADLO COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1CCCN(CC(=O)N(C)C)CC1 ZINC000029846737 483690687 /nfs/dbraw/zinc/69/06/87/483690687.db2.gz QNUJDHZDZWNVQG-CYBMUJFWSA-N 1 2 357.455 -1.057 20 0 FAADLO COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1CCCN(CC(=O)N(C)C)CC1 ZINC000029846737 483690685 /nfs/dbraw/zinc/69/06/85/483690685.db2.gz QNUJDHZDZWNVQG-CYBMUJFWSA-N 1 2 357.455 -1.057 20 0 FAADLO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCCN(CC(=O)N(C)C)CC1 ZINC000029846743 483690849 /nfs/dbraw/zinc/69/08/49/483690849.db2.gz QNUJDHZDZWNVQG-ZDUSSCGKSA-N 1 2 357.455 -1.057 20 0 FAADLO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCCN(CC(=O)N(C)C)CC1 ZINC000029846743 483690847 /nfs/dbraw/zinc/69/08/47/483690847.db2.gz QNUJDHZDZWNVQG-ZDUSSCGKSA-N 1 2 357.455 -1.057 20 0 FAADLO C[C@@H](CNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCOCC1 ZINC000029957618 483690858 /nfs/dbraw/zinc/69/08/58/483690858.db2.gz NUADDRBADCFVDW-NSHDSACASA-N 1 2 364.406 -1.729 20 0 FAADLO C[C@H](CNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCOCC1 ZINC000029957620 483340296 /nfs/dbraw/zinc/34/02/96/483340296.db2.gz NUADDRBADCFVDW-LLVKDONJSA-N 1 2 364.406 -1.729 20 0 FAADLO Cn1c(N)c(C(=O)C[NH+]2CCC(NC(=O)C3CC3)CC2)c(=O)n(C)c1=O ZINC000030278056 482709240 /nfs/dbraw/zinc/70/92/40/482709240.db2.gz GACISAXPWOOJJU-UHFFFAOYSA-N 1 2 363.418 -1.161 20 0 FAADLO Cn1c(=O)ccn(CC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c1=O ZINC000031935468 483690824 /nfs/dbraw/zinc/69/08/24/483690824.db2.gz HCTLVPKSOOAXKD-INIZCTEOSA-N 1 2 368.459 -1.129 20 0 FAADLO Cn1c(=O)ccn(CC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c1=O ZINC000031935469 483690793 /nfs/dbraw/zinc/69/07/93/483690793.db2.gz HCTLVPKSOOAXKD-MRXNPFEDSA-N 1 2 368.459 -1.129 20 0 FAADLO O=C(CNC(=O)CN1C(=O)c2ccccc2C1=O)NCC[NH+]1CCOCC1 ZINC000036105720 482577897 /nfs/dbraw/zinc/57/78/97/482577897.db2.gz BEHVRCKGVQARAA-UHFFFAOYSA-N 1 2 374.397 -1.153 20 0 FAADLO O=C(NCCO)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000042872914 482846808 /nfs/dbraw/zinc/84/68/08/482846808.db2.gz VHQHFPOPOIAHER-UHFFFAOYSA-N 1 2 357.436 -1.175 20 0 FAADLO COCCCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000042899952 482783306 /nfs/dbraw/zinc/78/33/06/482783306.db2.gz YYNNQDSNXNBURF-UHFFFAOYSA-N 1 2 363.484 -1.158 20 0 FAADLO O=C(NC1CC1)C(=O)N1CCN(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000042949681 483691385 /nfs/dbraw/zinc/69/13/85/483691385.db2.gz DWSGBQOAQXSLDL-UHFFFAOYSA-N 1 2 353.423 -1.549 20 0 FAADLO O=C(NCC[NH+]1CCOCC1)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000042949781 482784588 /nfs/dbraw/zinc/78/45/88/482784588.db2.gz PYWLBUZJMWODDZ-UHFFFAOYSA-N 1 2 367.450 -1.205 20 0 FAADLO O=C(NCCn1cc[nH+]c1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000043310909 658432359 /nfs/dbraw/zinc/43/23/59/658432359.db2.gz NTEPPKDGCZDEPA-UHFFFAOYSA-N 1 2 372.451 -1.213 20 0 FAADLO O=C(NCCn1cc[nH+]c1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000043311709 483691446 /nfs/dbraw/zinc/69/14/46/483691446.db2.gz KLRVBLFODLTVNT-UHFFFAOYSA-N 1 2 364.406 -1.404 20 0 FAADLO CN(C)C(=O)C1CC[NH+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000043784401 483691797 /nfs/dbraw/zinc/69/17/97/483691797.db2.gz TVWYLAPPVHCRKW-UHFFFAOYSA-N 1 2 351.407 -1.351 20 0 FAADLO COCCNC(=S)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000044138537 658014925 /nfs/dbraw/zinc/01/49/25/658014925.db2.gz BLMXGWTXQZYDDR-UHFFFAOYSA-N 1 2 365.525 -1.383 20 0 FAADLO NC(=O)CCN(Cc1ccccc1)C(=O)C[NH+]1CCN(CC(N)=O)CC1 ZINC000045003115 482818903 /nfs/dbraw/zinc/81/89/03/482818903.db2.gz 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ZINC000128281581 482689603 /nfs/dbraw/zinc/68/96/03/482689603.db2.gz HIZUADMNVYOELN-UHFFFAOYSA-N 1 2 357.436 -1.200 20 0 FAADLO CCCn1cnc2c1c(=O)n(C[C@H](O)C[NH+]1CCOCC1)c(=O)n2C ZINC000129438367 483567619 /nfs/dbraw/zinc/56/76/19/483567619.db2.gz LGUTXRTVVJBMAF-GFCCVEGCSA-N 1 2 351.407 -1.000 20 0 FAADLO CCCn1cnc2c1c(=O)n(C[C@@H](O)C[NH+]1CCOCC1)c(=O)n2C ZINC000129438557 483567173 /nfs/dbraw/zinc/56/71/73/483567173.db2.gz LGUTXRTVVJBMAF-LBPRGKRZSA-N 1 2 351.407 -1.000 20 0 FAADLO Cc1nnc(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1C ZINC000131428941 483577317 /nfs/dbraw/zinc/57/73/17/483577317.db2.gz KVPMUHBFSPQPTI-UHFFFAOYSA-N 1 2 357.484 -1.267 20 0 FAADLO CN(C(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C1CC1 ZINC000138335386 483784155 /nfs/dbraw/zinc/78/41/55/483784155.db2.gz LFIHQFZSPYASMT-UHFFFAOYSA-N 1 2 359.496 -1.283 20 0 FAADLO Cn1c(N)c(C(=O)C[N@H+]2CCC[C@H](N3CCNC3=O)C2)c(=O)n(C)c1=O ZINC000138975447 483287380 /nfs/dbraw/zinc/28/73/80/483287380.db2.gz BLJJJZGGQHUICJ-JTQLQIEISA-N 1 2 364.406 -1.662 20 0 FAADLO Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)c(=O)n(C)c1=O ZINC000138975447 483287378 /nfs/dbraw/zinc/28/73/78/483287378.db2.gz BLJJJZGGQHUICJ-JTQLQIEISA-N 1 2 364.406 -1.662 20 0 FAADLO Cn1c(N)c(C(=O)C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)c(=O)n(C)c1=O ZINC000138975550 483287812 /nfs/dbraw/zinc/28/78/12/483287812.db2.gz BLJJJZGGQHUICJ-SNVBAGLBSA-N 1 2 364.406 -1.662 20 0 FAADLO Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)c(=O)n(C)c1=O ZINC000138975550 483287807 /nfs/dbraw/zinc/28/78/07/483287807.db2.gz BLJJJZGGQHUICJ-SNVBAGLBSA-N 1 2 364.406 -1.662 20 0 FAADLO CCn1c(N)c(C(=O)C[N@H+]2CCC[C@H](N3CCNC3=O)C2)c(=O)[nH]c1=O ZINC000139076205 482701650 /nfs/dbraw/zinc/70/16/50/482701650.db2.gz HJBZYFWIYRZQEK-JTQLQIEISA-N 1 2 364.406 -1.189 20 0 FAADLO CCn1c(N)c(C(=O)C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)c(=O)[nH]c1=O ZINC000139076205 482701642 /nfs/dbraw/zinc/70/16/42/482701642.db2.gz HJBZYFWIYRZQEK-JTQLQIEISA-N 1 2 364.406 -1.189 20 0 FAADLO CCn1c(N)c(C(=O)C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)c(=O)[nH]c1=O ZINC000139076339 482702603 /nfs/dbraw/zinc/70/26/03/482702603.db2.gz HJBZYFWIYRZQEK-SNVBAGLBSA-N 1 2 364.406 -1.189 20 0 FAADLO CCn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)c(=O)[nH]c1=O ZINC000139076339 482702595 /nfs/dbraw/zinc/70/25/95/482702595.db2.gz HJBZYFWIYRZQEK-SNVBAGLBSA-N 1 2 364.406 -1.189 20 0 FAADLO CC(=O)N(C)C1CC[NH+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000143453790 482704304 /nfs/dbraw/zinc/70/43/04/482704304.db2.gz SZHQPDOYKHKNGV-UHFFFAOYSA-N 1 2 351.407 -1.208 20 0 FAADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CCNS(C)(=O)=O)CC1 ZINC000144517052 482704136 /nfs/dbraw/zinc/70/41/36/482704136.db2.gz LMDGUYWXFPZTSN-UHFFFAOYSA-N 1 2 367.435 -1.049 20 0 FAADLO NC(=O)C[N@H+]1CCCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000149811570 482704582 /nfs/dbraw/zinc/70/45/82/482704582.db2.gz SEWGPNWHIZRAGL-UHFFFAOYSA-N 1 2 359.386 -1.291 20 0 FAADLO NC(=O)C[N@@H+]1CCCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000149811570 482704580 /nfs/dbraw/zinc/70/45/80/482704580.db2.gz SEWGPNWHIZRAGL-UHFFFAOYSA-N 1 2 359.386 -1.291 20 0 FAADLO CC[N@@H+](CCn1cnc2c1c(=O)n(C)c(=O)n2C)CCS(C)(=O)=O ZINC000154281962 272805262 /nfs/dbraw/zinc/80/52/62/272805262.db2.gz DKCIPIZLPABLOC-UHFFFAOYSA-N 1 2 357.436 -1.200 20 0 FAADLO CC[N@H+](CCn1cnc2c1c(=O)n(C)c(=O)n2C)CCS(C)(=O)=O ZINC000154281962 272805261 /nfs/dbraw/zinc/80/52/61/272805261.db2.gz DKCIPIZLPABLOC-UHFFFAOYSA-N 1 2 357.436 -1.200 20 0 FAADLO Cn1c(N)c(C(=O)C[NH+]2CCC(Cn3ccnn3)CC2)c(=O)n(C)c1=O ZINC000156020533 272805289 /nfs/dbraw/zinc/80/52/89/272805289.db2.gz KIDIOTMUCDNRBA-UHFFFAOYSA-N 1 2 361.406 -1.147 20 0 FAADLO C[C@H](O)C[C@@H]1COCC[N@H+]1CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000156846527 482727481 /nfs/dbraw/zinc/72/74/81/482727481.db2.gz DXQMVQLTDZWVAK-NWDGAFQWSA-N 1 2 351.407 -1.095 20 0 FAADLO C[C@H](O)C[C@@H]1COCC[N@@H+]1CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000156846527 482727474 /nfs/dbraw/zinc/72/74/74/482727474.db2.gz DXQMVQLTDZWVAK-NWDGAFQWSA-N 1 2 351.407 -1.095 20 0 FAADLO C[C@@H](O)C[C@@H]1COCC[N@H+]1CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000156846667 272805381 /nfs/dbraw/zinc/80/53/81/272805381.db2.gz DXQMVQLTDZWVAK-VXGBXAGGSA-N 1 2 351.407 -1.095 20 0 FAADLO C[C@@H](O)C[C@@H]1COCC[N@@H+]1CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000156846667 272805380 /nfs/dbraw/zinc/80/53/80/272805380.db2.gz DXQMVQLTDZWVAK-VXGBXAGGSA-N 1 2 351.407 -1.095 20 0 FAADLO C[C@H](O)C[C@H]1COCC[N@H+]1CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000156846812 272805425 /nfs/dbraw/zinc/80/54/25/272805425.db2.gz DXQMVQLTDZWVAK-RYUDHWBXSA-N 1 2 351.407 -1.095 20 0 FAADLO C[C@H](O)C[C@H]1COCC[N@@H+]1CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000156846812 272805424 /nfs/dbraw/zinc/80/54/24/272805424.db2.gz DXQMVQLTDZWVAK-RYUDHWBXSA-N 1 2 351.407 -1.095 20 0 FAADLO C[C@@H](O)C[C@H]1COCC[N@H+]1CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000156846952 482727606 /nfs/dbraw/zinc/72/76/06/482727606.db2.gz DXQMVQLTDZWVAK-NEPJUHHUSA-N 1 2 351.407 -1.095 20 0 FAADLO C[C@@H](O)C[C@H]1COCC[N@@H+]1CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000156846952 482727604 /nfs/dbraw/zinc/72/76/04/482727604.db2.gz DXQMVQLTDZWVAK-NEPJUHHUSA-N 1 2 351.407 -1.095 20 0 FAADLO Cn1c(C[NH+]2CCN(c3ncccc3C(N)=O)CC2)cc(=O)n(C)c1=O ZINC000171036006 483263736 /nfs/dbraw/zinc/26/37/36/483263736.db2.gz FQHWYARQRGKYLK-UHFFFAOYSA-N 1 2 358.402 -1.100 20 0 FAADLO Cn1c2ncn(CC[N@@H+](C)[C@@H]3CCS(=O)(=O)C3)c2c(=O)n(C)c1=O ZINC000176449275 483265126 /nfs/dbraw/zinc/26/51/26/483265126.db2.gz CBXHQYMZJZRZAG-SNVBAGLBSA-N 1 2 355.420 -1.447 20 0 FAADLO Cn1c2ncn(CC[N@H+](C)[C@@H]3CCS(=O)(=O)C3)c2c(=O)n(C)c1=O ZINC000176449275 483265124 /nfs/dbraw/zinc/26/51/24/483265124.db2.gz CBXHQYMZJZRZAG-SNVBAGLBSA-N 1 2 355.420 -1.447 20 0 FAADLO Cn1c2ncn(CC[N@@H+](C)[C@H]3CCS(=O)(=O)C3)c2c(=O)n(C)c1=O ZINC000176449294 483264981 /nfs/dbraw/zinc/26/49/81/483264981.db2.gz CBXHQYMZJZRZAG-JTQLQIEISA-N 1 2 355.420 -1.447 20 0 FAADLO Cn1c2ncn(CC[N@H+](C)[C@H]3CCS(=O)(=O)C3)c2c(=O)n(C)c1=O ZINC000176449294 483264972 /nfs/dbraw/zinc/26/49/72/483264972.db2.gz CBXHQYMZJZRZAG-JTQLQIEISA-N 1 2 355.420 -1.447 20 0 FAADLO Cn1c(=O)c2cc(C(=O)NC[C@@H]3C[NH+]4CCN3CC4)cnc2n(C)c1=O ZINC000178627631 482768837 /nfs/dbraw/zinc/76/88/37/482768837.db2.gz PIOUENFIQQSVGV-GFCCVEGCSA-N 1 2 358.402 -1.638 20 0 FAADLO Cn1c(=O)c2cc(C(=O)NC[C@H]3C[NH+]4CCN3CC4)cnc2n(C)c1=O ZINC000178627645 272806194 /nfs/dbraw/zinc/80/61/94/272806194.db2.gz PIOUENFIQQSVGV-LBPRGKRZSA-N 1 2 358.402 -1.638 20 0 FAADLO Cn1cnc2c1c(=O)n(CC(=O)NC[C@@H]1C[NH+]3CCN1CC3)c(=O)n2C ZINC000178657518 482768593 /nfs/dbraw/zinc/76/85/93/482768593.db2.gz RFTAQIIDRNRHRZ-LLVKDONJSA-N 1 2 361.406 -2.450 20 0 FAADLO Cn1cnc2c1c(=O)n(CC(=O)NC[C@H]1C[NH+]3CCN1CC3)c(=O)n2C ZINC000178657530 482768448 /nfs/dbraw/zinc/76/84/48/482768448.db2.gz RFTAQIIDRNRHRZ-NSHDSACASA-N 1 2 361.406 -2.450 20 0 FAADLO Cn1c(=O)c2ccc(C(=O)NC[C@@H]3C[NH+]4CCN3CC4)nc2n(C)c1=O ZINC000178787816 272806189 /nfs/dbraw/zinc/80/61/89/272806189.db2.gz WUNWQICBHDPFMW-LLVKDONJSA-N 1 2 358.402 -1.638 20 0 FAADLO Cn1c(=O)c2ccc(C(=O)NC[C@H]3C[NH+]4CCN3CC4)nc2n(C)c1=O ZINC000178787828 482768546 /nfs/dbraw/zinc/76/85/46/482768546.db2.gz WUNWQICBHDPFMW-NSHDSACASA-N 1 2 358.402 -1.638 20 0 FAADLO Cc1cc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)nc2c1c(=O)n(C)c(=O)n2C ZINC000178788343 272806090 /nfs/dbraw/zinc/80/60/90/272806090.db2.gz PDZJWCDTPJUSQO-GFCCVEGCSA-N 1 2 372.429 -1.330 20 0 FAADLO Cc1cc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)nc2c1c(=O)n(C)c(=O)n2C ZINC000178788352 482768295 /nfs/dbraw/zinc/76/82/95/482768295.db2.gz PDZJWCDTPJUSQO-LBPRGKRZSA-N 1 2 372.429 -1.330 20 0 FAADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)Cn2ncn(C)c2=O)CC1 ZINC000179542338 482768003 /nfs/dbraw/zinc/76/80/03/482768003.db2.gz ZUAJVPRHHDTRDN-ZDUSSCGKSA-N 1 2 350.423 -1.263 20 0 FAADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)Cn2ncn(C)c2=O)CC1 ZINC000179542349 482768406 /nfs/dbraw/zinc/76/84/06/482768406.db2.gz ZUAJVPRHHDTRDN-CYBMUJFWSA-N 1 2 350.423 -1.263 20 0 FAADLO Cn1cnn(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c1=O ZINC000179706786 482770386 /nfs/dbraw/zinc/77/03/86/482770386.db2.gz PUKWNOXFXFAKBA-UHFFFAOYSA-N 1 2 357.378 -1.393 20 0 FAADLO Cn1c2ncn(CC[N@@H+](CCS(C)(=O)=O)C3CC3)c2c(=O)n(C)c1=O ZINC000180162608 482769866 /nfs/dbraw/zinc/76/98/66/482769866.db2.gz ZYBGICUUQZWDRG-UHFFFAOYSA-N 1 2 369.447 -1.057 20 0 FAADLO Cn1c2ncn(CC[N@H+](CCS(C)(=O)=O)C3CC3)c2c(=O)n(C)c1=O ZINC000180162608 482769858 /nfs/dbraw/zinc/76/98/58/482769858.db2.gz ZYBGICUUQZWDRG-UHFFFAOYSA-N 1 2 369.447 -1.057 20 0 FAADLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000182284326 483125981 /nfs/dbraw/zinc/12/59/81/483125981.db2.gz ZICQVLVIGRRNSX-JTQLQIEISA-N 1 2 357.436 -1.201 20 0 FAADLO C[C@@H](CS(C)(=O)=O)[N@H+](C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000182284326 483125973 /nfs/dbraw/zinc/12/59/73/483125973.db2.gz ZICQVLVIGRRNSX-JTQLQIEISA-N 1 2 357.436 -1.201 20 0 FAADLO C[C@H](CS(C)(=O)=O)[N@@H+](C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000182284348 483126059 /nfs/dbraw/zinc/12/60/59/483126059.db2.gz ZICQVLVIGRRNSX-SNVBAGLBSA-N 1 2 357.436 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CN1C(=O)C(=O)N(CC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)C1=O ZINC000298839957 483096517 /nfs/dbraw/zinc/09/65/17/483096517.db2.gz HAZDRYZFORMYRH-UHFFFAOYSA-N 1 2 365.390 -1.826 20 0 FAADLO CN1CC(=O)N(CC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)C1=O ZINC000298872777 483095742 /nfs/dbraw/zinc/09/57/42/483095742.db2.gz URPLJCHFNLTDSI-UHFFFAOYSA-N 1 2 351.407 -1.353 20 0 FAADLO CC[NH+]1CCN(C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000298960452 483096510 /nfs/dbraw/zinc/09/65/10/483096510.db2.gz RCHSHOKBRJRHRR-UHFFFAOYSA-N 1 2 374.401 -1.265 20 0 FAADLO Cn1c(=O)c2cc(NC(=O)C(=O)N3CC[NH+](C)CC3)cnc2n(C)c1=O ZINC000298975467 483096337 /nfs/dbraw/zinc/09/63/37/483096337.db2.gz UWFHNDLLALLNQF-UHFFFAOYSA-N 1 2 360.374 -1.655 20 0 FAADLO O=C(C(=O)N1CC[NH+](CCCN2C(=O)CNC2=O)CC1)N1CCCC1 ZINC000299135026 483096505 /nfs/dbraw/zinc/09/65/05/483096505.db2.gz OJPQFDVKXZTGGY-UHFFFAOYSA-N 1 2 351.407 -1.305 20 0 FAADLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)CNC(=O)CNC(C)=O)CC1 ZINC000299158186 483096324 /nfs/dbraw/zinc/09/63/24/483096324.db2.gz SBXVOIWNPZCSQY-UHFFFAOYSA-N 1 2 355.439 -1.749 20 0 FAADLO CCNC(=O)C[N@H+]1CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC000299266500 483097247 /nfs/dbraw/zinc/09/72/47/483097247.db2.gz ICVZFHJATYIFEY-UHFFFAOYSA-N 1 2 351.407 -1.783 20 0 FAADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC000299266500 483097239 /nfs/dbraw/zinc/09/72/39/483097239.db2.gz ICVZFHJATYIFEY-UHFFFAOYSA-N 1 2 351.407 -1.783 20 0 FAADLO Cn1c2ncn(CCC(=O)NC[C@@H]3C[N@@H+](C)CCO3)c2c(=O)n(C)c1=O ZINC000299432924 483098046 /nfs/dbraw/zinc/09/80/46/483098046.db2.gz OJIKGVVHLKAJSH-LLVKDONJSA-N 1 2 364.406 -1.729 20 0 FAADLO Cn1c2ncn(CCC(=O)NC[C@@H]3C[N@H+](C)CCO3)c2c(=O)n(C)c1=O ZINC000299432924 483098042 /nfs/dbraw/zinc/09/80/42/483098042.db2.gz OJIKGVVHLKAJSH-LLVKDONJSA-N 1 2 364.406 -1.729 20 0 FAADLO Cn1c2ncn(CCC(=O)NC[C@H]3C[N@@H+](C)CCO3)c2c(=O)n(C)c1=O ZINC000299432926 483097757 /nfs/dbraw/zinc/09/77/57/483097757.db2.gz OJIKGVVHLKAJSH-NSHDSACASA-N 1 2 364.406 -1.729 20 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/nfs/dbraw/zinc/19/18/36/483191836.db2.gz WTUDLRQRHUJWOV-UHFFFAOYSA-N 1 2 360.436 -1.839 20 0 FAADLO COC(=O)CCN(C)S(=O)(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000325147216 483192538 /nfs/dbraw/zinc/19/25/38/483192538.db2.gz JLTFKIGXOSKXOV-UHFFFAOYSA-N 1 2 364.468 -1.178 20 0 FAADLO COC(=O)CCN(C)S(=O)(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000325147216 483192531 /nfs/dbraw/zinc/19/25/31/483192531.db2.gz JLTFKIGXOSKXOV-UHFFFAOYSA-N 1 2 364.468 -1.178 20 0 FAADLO CS(=O)(=O)[C@H]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000328657523 483108302 /nfs/dbraw/zinc/10/83/02/483108302.db2.gz PEIQFRWAYMGSII-KBPBESRZSA-N 1 2 373.475 -1.187 20 0 FAADLO CS(=O)(=O)[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000328657524 483108622 /nfs/dbraw/zinc/10/86/22/483108622.db2.gz PEIQFRWAYMGSII-KGLIPLIRSA-N 1 2 373.475 -1.187 20 0 FAADLO CS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000328657525 483108717 /nfs/dbraw/zinc/10/87/17/483108717.db2.gz PEIQFRWAYMGSII-UONOGXRCSA-N 1 2 373.475 -1.187 20 0 FAADLO CS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000328657526 483108286 /nfs/dbraw/zinc/10/82/86/483108286.db2.gz PEIQFRWAYMGSII-ZIAGYGMSSA-N 1 2 373.475 -1.187 20 0 FAADLO CC(=O)N1CC(C(=O)N2CC[NH+]([C@H](C)C(=O)N3CCOCC3)CC2)C1 ZINC000328669826 483109830 /nfs/dbraw/zinc/10/98/30/483109830.db2.gz MGPVCRNYOAZZDJ-CYBMUJFWSA-N 1 2 352.435 -1.144 20 0 FAADLO CC(=O)N1CC(C(=O)N2CC[NH+]([C@@H](C)C(=O)N3CCOCC3)CC2)C1 ZINC000328669827 483108339 /nfs/dbraw/zinc/10/83/39/483108339.db2.gz MGPVCRNYOAZZDJ-ZDUSSCGKSA-N 1 2 352.435 -1.144 20 0 FAADLO CC1(C)NC(=O)N(CC[NH+]2CCN(C(=O)CN3CCOCC3)CC2)C1=O ZINC000328711994 272827103 /nfs/dbraw/zinc/82/71/03/272827103.db2.gz BKJPCUZHGQWPOL-UHFFFAOYSA-N 1 2 367.450 -1.002 20 0 FAADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000328737200 483109208 /nfs/dbraw/zinc/10/92/08/483109208.db2.gz LPRADMFSZCRATB-KFWWJZLASA-N 1 2 353.419 -1.207 20 0 FAADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000328737201 483108606 /nfs/dbraw/zinc/10/86/06/483108606.db2.gz LPRADMFSZCRATB-SOUVJXGZSA-N 1 2 353.419 -1.207 20 0 FAADLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000328776167 483109873 /nfs/dbraw/zinc/10/98/73/483109873.db2.gz KWSBUZWXSWCVCY-JTQLQIEISA-N 1 2 353.404 -1.004 20 0 FAADLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000328776169 483109616 /nfs/dbraw/zinc/10/96/16/483109616.db2.gz KWSBUZWXSWCVCY-SNVBAGLBSA-N 1 2 353.404 -1.004 20 0 FAADLO CN(C)C(=O)CC[NH+]1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 ZINC000328801365 483108501 /nfs/dbraw/zinc/10/85/01/483108501.db2.gz ZFKFXTVZQZKOQS-UHFFFAOYSA-N 1 2 360.480 -1.661 20 0 FAADLO Cc1nc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c[nH]1 ZINC000328830644 483109314 /nfs/dbraw/zinc/10/93/14/483109314.db2.gz KRAQSOXHDFUNCP-UHFFFAOYSA-N 1 2 356.452 -1.032 20 0 FAADLO O=C(CCn1cc[nH+]c1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000328839201 483108588 /nfs/dbraw/zinc/10/85/88/483108588.db2.gz YOCRIALQKMTUJP-UHFFFAOYSA-N 1 2 357.436 -1.006 20 0 FAADLO Cc1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)nn1C ZINC000328846302 657262566 /nfs/dbraw/zinc/26/25/66/657262566.db2.gz RYQOACNWDBIRID-UHFFFAOYSA-N 1 2 370.479 -1.021 20 0 FAADLO C[C@@H](C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)[NH+]1CCOCC1 ZINC000328854167 483108701 /nfs/dbraw/zinc/10/87/01/483108701.db2.gz JKPCMPXFXJZNLC-ZDUSSCGKSA-N 1 2 366.418 -1.473 20 0 FAADLO Cn1cc(S(=O)(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c(=O)n(C)c1=O ZINC000328858016 483108907 /nfs/dbraw/zinc/10/89/07/483108907.db2.gz YBUWIGFNDFTQSE-GHMZBOCLSA-N 1 2 358.420 -1.822 20 0 FAADLO Cn1cc(S(=O)(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c(=O)n(C)c1=O ZINC000328858016 483108901 /nfs/dbraw/zinc/10/89/01/483108901.db2.gz YBUWIGFNDFTQSE-GHMZBOCLSA-N 1 2 358.420 -1.822 20 0 FAADLO Cn1cc(S(=O)(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c(=O)n(C)c1=O ZINC000328858025 483109850 /nfs/dbraw/zinc/10/98/50/483109850.db2.gz YBUWIGFNDFTQSE-MNOVXSKESA-N 1 2 358.420 -1.822 20 0 FAADLO Cn1cc(S(=O)(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c(=O)n(C)c1=O ZINC000328858025 483109847 /nfs/dbraw/zinc/10/98/47/483109847.db2.gz YBUWIGFNDFTQSE-MNOVXSKESA-N 1 2 358.420 -1.822 20 0 FAADLO Cn1cc(S(=O)(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c(=O)n(C)c1=O ZINC000328858027 483109668 /nfs/dbraw/zinc/10/96/68/483109668.db2.gz YBUWIGFNDFTQSE-QWRGUYRKSA-N 1 2 358.420 -1.822 20 0 FAADLO Cn1cc(S(=O)(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c(=O)n(C)c1=O ZINC000328858027 483109658 /nfs/dbraw/zinc/10/96/58/483109658.db2.gz YBUWIGFNDFTQSE-QWRGUYRKSA-N 1 2 358.420 -1.822 20 0 FAADLO Cn1cc(S(=O)(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c(=O)n(C)c1=O ZINC000328858029 483109286 /nfs/dbraw/zinc/10/92/86/483109286.db2.gz YBUWIGFNDFTQSE-WDEREUQCSA-N 1 2 358.420 -1.822 20 0 FAADLO Cn1cc(S(=O)(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c(=O)n(C)c1=O ZINC000328858029 483109282 /nfs/dbraw/zinc/10/92/82/483109282.db2.gz YBUWIGFNDFTQSE-WDEREUQCSA-N 1 2 358.420 -1.822 20 0 FAADLO Cc1nc(S(=O)(=O)NCC(=O)N(C)CC[NH+]2CCOCC2)cn1C ZINC000328882714 657263310 /nfs/dbraw/zinc/26/33/10/657263310.db2.gz XJEIURCOQYZIDE-UHFFFAOYSA-N 1 2 359.452 -1.203 20 0 FAADLO CO[C@H]1C[C@@H](C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)[N@@H+](C)C1 ZINC000328919017 657263489 /nfs/dbraw/zinc/26/34/89/657263489.db2.gz ANLLDIOJNFPVAL-STQMWFEESA-N 1 2 351.407 -0.601 20 0 FAADLO CO[C@H]1C[C@@H](C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)[N@H+](C)C1 ZINC000328919017 657263483 /nfs/dbraw/zinc/26/34/83/657263483.db2.gz ANLLDIOJNFPVAL-STQMWFEESA-N 1 2 351.407 -0.601 20 0 FAADLO Cc1cnn(CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000328936201 483110750 /nfs/dbraw/zinc/11/07/50/483110750.db2.gz JKZNYTGLLFUHOQ-UHFFFAOYSA-N 1 2 370.479 -1.172 20 0 FAADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)CC1 ZINC000328947886 483110509 /nfs/dbraw/zinc/11/05/09/483110509.db2.gz GXINVMTXWJQIHS-GFCCVEGCSA-N 1 2 359.452 -1.258 20 0 FAADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)CC1 ZINC000328947887 483110865 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CCN1CCN(CC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)C(=O)C1=O ZINC000376208924 272845584 /nfs/dbraw/zinc/84/55/84/272845584.db2.gz GEWXHXJEXKDCGI-UONOGXRCSA-N 1 2 352.435 -1.001 20 0 FAADLO CCN1CCN(CC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)C(=O)C1=O ZINC000376208925 657576455 /nfs/dbraw/zinc/57/64/55/657576455.db2.gz GEWXHXJEXKDCGI-ZIAGYGMSSA-N 1 2 352.435 -1.001 20 0 FAADLO CNS(=O)(=O)C1CCN(c2nc(NCCO)[nH+]c(NC(C)C)n2)CC1 ZINC000376222568 657578443 /nfs/dbraw/zinc/57/84/43/657578443.db2.gz QREPHEUSYDEDDY-UHFFFAOYSA-N 1 2 373.483 -1.542 20 0 FAADLO CC(C)Nc1nc(N2CC[C@H]3OCC(=O)N[C@@H]3C2)nc(NCCO)[nH+]1 ZINC000376433461 657622244 /nfs/dbraw/zinc/62/22/44/657622244.db2.gz DGJPHGYYBSEQGA-GHMZBOCLSA-N 1 2 351.411 -1.966 20 0 FAADLO CC(C)Nc1nc(N2CC[C@@H]3OCC(=O)N[C@@H]3C2)nc(NCCO)[nH+]1 ZINC000376433462 657622315 /nfs/dbraw/zinc/62/23/15/657622315.db2.gz DGJPHGYYBSEQGA-MNOVXSKESA-N 1 2 351.411 -1.966 20 0 FAADLO CC(C)Nc1nc(N2CC[C@@H]3OCC(=O)N[C@H]3C2)nc(NCCO)[nH+]1 ZINC000376433463 657622544 /nfs/dbraw/zinc/62/25/44/657622544.db2.gz DGJPHGYYBSEQGA-QWRGUYRKSA-N 1 2 351.411 -1.966 20 0 FAADLO CC(C)Nc1nc(N2CC[C@H]3OCC(=O)N[C@H]3C2)nc(NCCO)[nH+]1 ZINC000376433464 657622497 /nfs/dbraw/zinc/62/24/97/657622497.db2.gz DGJPHGYYBSEQGA-WDEREUQCSA-N 1 2 351.411 -1.966 20 0 FAADLO CC(C)Nc1nc(N2CCN3C(=O)N(C)C[C@@H]3C2)nc(NCCO)[nH+]1 ZINC000376458720 657632129 /nfs/dbraw/zinc/63/21/29/657632129.db2.gz BVQVTAKDYDOHAA-LLVKDONJSA-N 1 2 350.427 -1.504 20 0 FAADLO CC(C)Nc1nc(N2CCN3C(=O)N(C)C[C@H]3C2)nc(NCCO)[nH+]1 ZINC000376458721 657632436 /nfs/dbraw/zinc/63/24/36/657632436.db2.gz BVQVTAKDYDOHAA-NSHDSACASA-N 1 2 350.427 -1.504 20 0 FAADLO CC(C)Nc1nc(NCCO)[nH+]c(N2CCS(=O)(=O)C[C@H](C)C2)n1 ZINC000376459497 657632517 /nfs/dbraw/zinc/63/25/17/657632517.db2.gz GIAMIJHQMDIOPM-LLVKDONJSA-N 1 2 358.468 -1.189 20 0 FAADLO CC(C)Nc1nc(NCCO)[nH+]c(N2CCS(=O)(=O)C[C@@H](C)C2)n1 ZINC000376459498 657632393 /nfs/dbraw/zinc/63/23/93/657632393.db2.gz GIAMIJHQMDIOPM-NSHDSACASA-N 1 2 358.468 -1.189 20 0 FAADLO CC[C@H](C)[C@@H](NC(=O)CN1CCO[C@H](C[N@@H+](C)CC(N)=O)C1)C(=O)OC ZINC000376637760 272846320 /nfs/dbraw/zinc/84/63/20/272846320.db2.gz TYVONPFZYBYAMB-WOSRLPQWSA-N 1 2 372.466 -1.192 20 0 FAADLO CC[C@H](C)[C@@H](NC(=O)CN1CCO[C@H](C[N@H+](C)CC(N)=O)C1)C(=O)OC ZINC000376637760 272846319 /nfs/dbraw/zinc/84/63/19/272846319.db2.gz TYVONPFZYBYAMB-WOSRLPQWSA-N 1 2 372.466 -1.192 20 0 FAADLO CNC(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2cc3n(n2)CCCC3)CC1 ZINC000376709840 483760091 /nfs/dbraw/zinc/76/00/91/483760091.db2.gz JERURCHDNDQVEQ-UHFFFAOYSA-N 1 2 362.434 -0.562 20 0 FAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2cc3n(n2)CCCC3)CC1 ZINC000376709840 483760087 /nfs/dbraw/zinc/76/00/87/483760087.db2.gz JERURCHDNDQVEQ-UHFFFAOYSA-N 1 2 362.434 -0.562 20 0 FAADLO CC(C)Nc1nc(NCCO)nc(NC[C@@H]2COC3(CCOCC3)O2)[nH+]1 ZINC000376771582 483253161 /nfs/dbraw/zinc/25/31/61/483253161.db2.gz HRXJWAYWWAXUFG-GFCCVEGCSA-N 1 2 368.438 -1.304 20 0 FAADLO CC(C)Nc1nc(NC[C@@H]2COC3(CCOCC3)O2)nc(NCCO)[nH+]1 ZINC000376771582 483253155 /nfs/dbraw/zinc/25/31/55/483253155.db2.gz HRXJWAYWWAXUFG-GFCCVEGCSA-N 1 2 368.438 -1.304 20 0 FAADLO CC(C)Nc1nc(NCCO)[nH+]c(NC[C@@H]2COC3(CCOCC3)O2)n1 ZINC000376771582 483253149 /nfs/dbraw/zinc/25/31/49/483253149.db2.gz HRXJWAYWWAXUFG-GFCCVEGCSA-N 1 2 368.438 -1.304 20 0 FAADLO CC(C)Nc1nc(NCCO)nc(NC[C@H]2COC3(CCOCC3)O2)[nH+]1 ZINC000376771583 483252963 /nfs/dbraw/zinc/25/29/63/483252963.db2.gz HRXJWAYWWAXUFG-LBPRGKRZSA-N 1 2 368.438 -1.304 20 0 FAADLO CC(C)Nc1nc(NC[C@H]2COC3(CCOCC3)O2)nc(NCCO)[nH+]1 ZINC000376771583 483252959 /nfs/dbraw/zinc/25/29/59/483252959.db2.gz HRXJWAYWWAXUFG-LBPRGKRZSA-N 1 2 368.438 -1.304 20 0 FAADLO CC(C)Nc1nc(NCCO)[nH+]c(NC[C@H]2COC3(CCOCC3)O2)n1 ZINC000376771583 483252953 /nfs/dbraw/zinc/25/29/53/483252953.db2.gz HRXJWAYWWAXUFG-LBPRGKRZSA-N 1 2 368.438 -1.304 20 0 FAADLO CC(C)Nc1nc(NCCO)nc(N2CC[C@@H](C)S(=O)(=O)CC2)[nH+]1 ZINC000376773279 483252938 /nfs/dbraw/zinc/25/29/38/483252938.db2.gz PWJOOZOAEIFVBV-LLVKDONJSA-N 1 2 358.468 -1.047 20 0 FAADLO CC(C)Nc1nc(NCCO)[nH+]c(N2CC[C@@H](C)S(=O)(=O)CC2)n1 ZINC000376773279 483252935 /nfs/dbraw/zinc/25/29/35/483252935.db2.gz PWJOOZOAEIFVBV-LLVKDONJSA-N 1 2 358.468 -1.047 20 0 FAADLO CC(C)Nc1nc(NCCO)nc(N2CC[C@H](C)S(=O)(=O)CC2)[nH+]1 ZINC000376773280 483251743 /nfs/dbraw/zinc/25/17/43/483251743.db2.gz PWJOOZOAEIFVBV-NSHDSACASA-N 1 2 358.468 -1.047 20 0 FAADLO CC(C)Nc1nc(NCCO)[nH+]c(N2CC[C@H](C)S(=O)(=O)CC2)n1 ZINC000376773280 483251738 /nfs/dbraw/zinc/25/17/38/483251738.db2.gz PWJOOZOAEIFVBV-NSHDSACASA-N 1 2 358.468 -1.047 20 0 FAADLO CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@H+]1C[C@@H](O)C[C@H]1CO)C2=O ZINC000376799716 483252218 /nfs/dbraw/zinc/25/22/18/483252218.db2.gz SYYLYWWPLKHJMR-SLMGRZLQSA-N 1 2 354.407 -1.054 20 0 FAADLO CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@@H+]1C[C@@H](O)C[C@H]1CO)C2=O ZINC000376799716 483252212 /nfs/dbraw/zinc/25/22/12/483252212.db2.gz SYYLYWWPLKHJMR-SLMGRZLQSA-N 1 2 354.407 -1.054 20 0 FAADLO NS(=O)(=O)CCN1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000376837448 272846694 /nfs/dbraw/zinc/84/66/94/272846694.db2.gz AHKHPCPBVRZLPL-HNNXBMFYSA-N 1 2 374.507 -1.080 20 0 FAADLO NS(=O)(=O)CCN1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000376837448 272846692 /nfs/dbraw/zinc/84/66/92/272846692.db2.gz AHKHPCPBVRZLPL-HNNXBMFYSA-N 1 2 374.507 -1.080 20 0 FAADLO NS(=O)(=O)CCN1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000376837449 483252150 /nfs/dbraw/zinc/25/21/50/483252150.db2.gz AHKHPCPBVRZLPL-OAHLLOKOSA-N 1 2 374.507 -1.080 20 0 FAADLO NS(=O)(=O)CCN1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000376837449 483252144 /nfs/dbraw/zinc/25/21/44/483252144.db2.gz AHKHPCPBVRZLPL-OAHLLOKOSA-N 1 2 374.507 -1.080 20 0 FAADLO CCCC[N@H+]1CCOC[C@H]1C(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000376876544 483252072 /nfs/dbraw/zinc/25/20/72/483252072.db2.gz UIKZVUJYERWYJD-AWEZNQCLSA-N 1 2 362.496 -1.080 20 0 FAADLO CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000376876544 483252066 /nfs/dbraw/zinc/25/20/66/483252066.db2.gz UIKZVUJYERWYJD-AWEZNQCLSA-N 1 2 362.496 -1.080 20 0 FAADLO CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000376876547 483252108 /nfs/dbraw/zinc/25/21/08/483252108.db2.gz UIKZVUJYERWYJD-CQSZACIVSA-N 1 2 362.496 -1.080 20 0 FAADLO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000376876547 483252104 /nfs/dbraw/zinc/25/21/04/483252104.db2.gz UIKZVUJYERWYJD-CQSZACIVSA-N 1 2 362.496 -1.080 20 0 FAADLO CN(C(=O)N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O)[C@@H]1COC[C@H]1O ZINC000376876573 483253078 /nfs/dbraw/zinc/25/30/78/483253078.db2.gz WNTJXSYFAPFSNT-RBSFLKMASA-N 1 2 370.450 -1.289 20 0 FAADLO CN(C(=O)N[C@H]1CCCN(CC[NH+]2CCOCC2)C1=O)[C@@H]1COC[C@H]1O ZINC000376876577 483252327 /nfs/dbraw/zinc/25/23/27/483252327.db2.gz WNTJXSYFAPFSNT-RRFJBIMHSA-N 1 2 370.450 -1.289 20 0 FAADLO NS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000376945883 483251961 /nfs/dbraw/zinc/25/19/61/483251961.db2.gz ANHASHYUPFCIEU-GFCCVEGCSA-N 1 2 355.482 -1.209 20 0 FAADLO NS(=O)(=O)[C@H]1CCCN(S(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000376945884 483252948 /nfs/dbraw/zinc/25/29/48/483252948.db2.gz ANHASHYUPFCIEU-LBPRGKRZSA-N 1 2 355.482 -1.209 20 0 FAADLO COC(=O)COCC(=O)N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000376992970 483252713 /nfs/dbraw/zinc/25/27/13/483252713.db2.gz OCOBEUOZMCFHJQ-CYBMUJFWSA-N 1 2 357.407 -1.385 20 0 FAADLO COC(=O)COCC(=O)N[C@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000376992971 483251918 /nfs/dbraw/zinc/25/19/18/483251918.db2.gz OCOBEUOZMCFHJQ-ZDUSSCGKSA-N 1 2 357.407 -1.385 20 0 FAADLO CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@H+]1CC[C@](O)(C(N)=O)C1)C2=O ZINC000376999047 483252580 /nfs/dbraw/zinc/25/25/80/483252580.db2.gz FCMBWTLXBQMJMH-KPALFNEHSA-N 1 2 367.406 -1.560 20 0 FAADLO CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@@H+]1CC[C@](O)(C(N)=O)C1)C2=O ZINC000376999047 483252572 /nfs/dbraw/zinc/25/25/72/483252572.db2.gz FCMBWTLXBQMJMH-KPALFNEHSA-N 1 2 367.406 -1.560 20 0 FAADLO CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@H+]1CC[C@@](O)(C(N)=O)C1)C2=O ZINC000376999084 483251879 /nfs/dbraw/zinc/25/18/79/483251879.db2.gz FCMBWTLXBQMJMH-XTQHVIMUSA-N 1 2 367.406 -1.560 20 0 FAADLO CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@@H+]1CC[C@@](O)(C(N)=O)C1)C2=O ZINC000376999084 483251877 /nfs/dbraw/zinc/25/18/77/483251877.db2.gz FCMBWTLXBQMJMH-XTQHVIMUSA-N 1 2 367.406 -1.560 20 0 FAADLO C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000377025258 483254095 /nfs/dbraw/zinc/25/40/95/483254095.db2.gz QTRXCSSODLGWLS-INIZCTEOSA-N 1 2 368.434 -1.262 20 0 FAADLO C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000377025259 483254000 /nfs/dbraw/zinc/25/40/00/483254000.db2.gz QTRXCSSODLGWLS-MRXNPFEDSA-N 1 2 368.434 -1.262 20 0 FAADLO CN(C)S(=O)(=O)CCCS(=O)(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000377080211 483254364 /nfs/dbraw/zinc/25/43/64/483254364.db2.gz TYXTZKGVYOCLKB-GFCCVEGCSA-N 1 2 354.498 -1.813 20 0 FAADLO CN(C)S(=O)(=O)CCCS(=O)(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000377080214 483254067 /nfs/dbraw/zinc/25/40/67/483254067.db2.gz TYXTZKGVYOCLKB-LBPRGKRZSA-N 1 2 354.498 -1.813 20 0 FAADLO O=C(N[C@@]1(CCO)CCOC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 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ZINC000424560011 483340071 /nfs/dbraw/zinc/34/00/71/483340071.db2.gz XOJXFYWLFXSXQK-JTQLQIEISA-N 1 2 370.422 -1.209 20 0 FAADLO CC(C)NS(=O)(=O)CCNC(=O)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424560015 483340632 /nfs/dbraw/zinc/34/06/32/483340632.db2.gz XOJXFYWLFXSXQK-SNVBAGLBSA-N 1 2 370.422 -1.209 20 0 FAADLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000425200085 483286929 /nfs/dbraw/zinc/28/69/29/483286929.db2.gz GZRQZPHMJKHDNG-UHFFFAOYSA-N 1 2 374.463 -1.185 20 0 FAADLO CN1CCN(c2cc(N3CC[C@@H](NS(C)(=O)=O)C3)nc[nH+]2)CC1=O ZINC000425226507 483286559 /nfs/dbraw/zinc/28/65/59/483286559.db2.gz MYFCICYPIQDKSA-LLVKDONJSA-N 1 2 354.436 -1.117 20 0 FAADLO CN1CCN(c2cc(N3CC[C@@H](NS(C)(=O)=O)C3)[nH+]cn2)CC1=O ZINC000425226507 483286554 /nfs/dbraw/zinc/28/65/54/483286554.db2.gz MYFCICYPIQDKSA-LLVKDONJSA-N 1 2 354.436 -1.117 20 0 FAADLO CN1CCN(c2cc(N3CC[C@H](NS(C)(=O)=O)C3)nc[nH+]2)CC1=O ZINC000425226510 483286624 /nfs/dbraw/zinc/28/66/24/483286624.db2.gz MYFCICYPIQDKSA-NSHDSACASA-N 1 2 354.436 -1.117 20 0 FAADLO CN1CCN(c2cc(N3CC[C@H](NS(C)(=O)=O)C3)[nH+]cn2)CC1=O ZINC000425226510 483286617 /nfs/dbraw/zinc/28/66/17/483286617.db2.gz MYFCICYPIQDKSA-NSHDSACASA-N 1 2 354.436 -1.117 20 0 FAADLO CC(C)Nc1nc(NCCO)nc(N2CC[C@H](NS(C)(=O)=O)C2)[nH+]1 ZINC000425231959 272860052 /nfs/dbraw/zinc/86/00/52/272860052.db2.gz NTCMXNIQRNJKAK-JTQLQIEISA-N 1 2 359.456 -1.932 20 0 FAADLO CC(C)Nc1nc(NCCO)[nH+]c(N2CC[C@H](NS(C)(=O)=O)C2)n1 ZINC000425231959 272860051 /nfs/dbraw/zinc/86/00/51/272860051.db2.gz NTCMXNIQRNJKAK-JTQLQIEISA-N 1 2 359.456 -1.932 20 0 FAADLO CC(C)Nc1nc(N2CC[C@H](NS(C)(=O)=O)C2)nc(NCCO)[nH+]1 ZINC000425231959 272860049 /nfs/dbraw/zinc/86/00/49/272860049.db2.gz NTCMXNIQRNJKAK-JTQLQIEISA-N 1 2 359.456 -1.932 20 0 FAADLO CC(C)Nc1nc(NCCO)nc(N2CC[C@@H](NS(C)(=O)=O)C2)[nH+]1 ZINC000425231960 483286227 /nfs/dbraw/zinc/28/62/27/483286227.db2.gz NTCMXNIQRNJKAK-SNVBAGLBSA-N 1 2 359.456 -1.932 20 0 FAADLO CC(C)Nc1nc(N2CC[C@@H](NS(C)(=O)=O)C2)nc(NCCO)[nH+]1 ZINC000425231960 483286221 /nfs/dbraw/zinc/28/62/21/483286221.db2.gz NTCMXNIQRNJKAK-SNVBAGLBSA-N 1 2 359.456 -1.932 20 0 FAADLO COC(=O)[C@H]1CN(c2nc(NCCO)nc(NC(C)C)[nH+]2)C[C@@H](C)O1 ZINC000425253752 483286301 /nfs/dbraw/zinc/28/63/01/483286301.db2.gz LKWULKKSYYQVKL-GHMZBOCLSA-N 1 2 354.411 -1.293 20 0 FAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NCCCn1c(=O)ccn(C)c1=O ZINC000425272094 483286436 /nfs/dbraw/zinc/28/64/36/483286436.db2.gz KBYKGSNXFUCIDN-UHFFFAOYSA-N 1 2 353.423 -1.490 20 0 FAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)NCCCn1c(=O)ccn(C)c1=O ZINC000425272094 483286431 /nfs/dbraw/zinc/28/64/31/483286431.db2.gz KBYKGSNXFUCIDN-UHFFFAOYSA-N 1 2 353.423 -1.490 20 0 FAADLO NS(=O)(=O)Cc1ccc(C(=O)N[C@H](CO)C[NH+]2CCOCC2)cc1 ZINC000425282693 483308649 /nfs/dbraw/zinc/30/86/49/483308649.db2.gz ASGCZRNWOWAZJZ-AWEZNQCLSA-N 1 2 357.432 -1.102 20 0 FAADLO NS(=O)(=O)Cc1ccc(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)cc1 ZINC000425282860 483308573 /nfs/dbraw/zinc/30/85/73/483308573.db2.gz ASGCZRNWOWAZJZ-CQSZACIVSA-N 1 2 357.432 -1.102 20 0 FAADLO O=C(CNS(=O)(=O)c1cccnc1)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000425287825 483348529 /nfs/dbraw/zinc/34/85/29/483348529.db2.gz JTHAGPUILQWRFO-GFCCVEGCSA-N 1 2 358.420 -1.831 20 0 FAADLO O=C(CNS(=O)(=O)c1cccnc1)N[C@H](CO)C[NH+]1CCOCC1 ZINC000425287826 483348257 /nfs/dbraw/zinc/34/82/57/483348257.db2.gz JTHAGPUILQWRFO-LBPRGKRZSA-N 1 2 358.420 -1.831 20 0 FAADLO CS(=O)(=O)Nc1cncc(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)c1 ZINC000425287982 483348682 /nfs/dbraw/zinc/34/86/82/483348682.db2.gz ARALCPXECAUWPG-CYBMUJFWSA-N 1 2 358.420 -1.124 20 0 FAADLO CS(=O)(=O)Nc1cncc(C(=O)N[C@H](CO)C[NH+]2CCOCC2)c1 ZINC000425287988 483348543 /nfs/dbraw/zinc/34/85/43/483348543.db2.gz ARALCPXECAUWPG-ZDUSSCGKSA-N 1 2 358.420 -1.124 20 0 FAADLO Cn1cc(S(=O)(=O)NCC(=O)N[C@@H](CO)C[NH+]2CCOCC2)cn1 ZINC000425291463 483038904 /nfs/dbraw/zinc/03/89/04/483038904.db2.gz RFWBCPHRJAIKIT-LLVKDONJSA-N 1 2 361.424 -2.492 20 0 FAADLO Cn1cc(S(=O)(=O)NCC(=O)N[C@H](CO)C[NH+]2CCOCC2)cn1 ZINC000425291464 483038461 /nfs/dbraw/zinc/03/84/61/483038461.db2.gz RFWBCPHRJAIKIT-NSHDSACASA-N 1 2 361.424 -2.492 20 0 FAADLO Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000425292069 483781248 /nfs/dbraw/zinc/78/12/48/483781248.db2.gz VQAXOFWNLFBRAG-GFCCVEGCSA-N 1 2 363.422 -1.325 20 0 FAADLO Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000425292070 483781174 /nfs/dbraw/zinc/78/11/74/483781174.db2.gz VQAXOFWNLFBRAG-LBPRGKRZSA-N 1 2 363.422 -1.325 20 0 FAADLO O=C(CNS(=O)(=O)c1ccccc1)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000425292257 483349385 /nfs/dbraw/zinc/34/93/85/483349385.db2.gz XAEZZGREYHQIQM-CYBMUJFWSA-N 1 2 357.432 -1.226 20 0 FAADLO O=C(CNS(=O)(=O)c1ccccc1)N[C@H](CO)C[NH+]1CCOCC1 ZINC000425292258 483349584 /nfs/dbraw/zinc/34/95/84/483349584.db2.gz XAEZZGREYHQIQM-ZDUSSCGKSA-N 1 2 357.432 -1.226 20 0 FAADLO O=C(CCNS(=O)(=O)c1cccnc1)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000425292360 272859947 /nfs/dbraw/zinc/85/99/47/272859947.db2.gz XYMRPZISEUWVQI-CYBMUJFWSA-N 1 2 372.447 -1.441 20 0 FAADLO O=C(CCNS(=O)(=O)c1cccnc1)N[C@H](CO)C[NH+]1CCOCC1 ZINC000425292361 483079150 /nfs/dbraw/zinc/07/91/50/483079150.db2.gz XYMRPZISEUWVQI-ZDUSSCGKSA-N 1 2 372.447 -1.441 20 0 FAADLO Cc1cccc(=O)n1C[C@](C)(O)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000425294701 483101802 /nfs/dbraw/zinc/10/18/02/483101802.db2.gz NTYAISUUOPHLPE-PBHICJAKSA-N 1 2 353.419 -1.283 20 0 FAADLO Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000425294703 272859699 /nfs/dbraw/zinc/85/96/99/272859699.db2.gz NTYAISUUOPHLPE-RHSMWYFYSA-N 1 2 353.419 -1.283 20 0 FAADLO Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000425294704 483101808 /nfs/dbraw/zinc/10/18/08/483101808.db2.gz NTYAISUUOPHLPE-WMLDXEAASA-N 1 2 353.419 -1.283 20 0 FAADLO Cc1cccc(=O)n1C[C@](C)(O)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000425294705 483101941 /nfs/dbraw/zinc/10/19/41/483101941.db2.gz NTYAISUUOPHLPE-YOEHRIQHSA-N 1 2 353.419 -1.283 20 0 FAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)c1ccc2c(c1)NC(=O)CNC2=O ZINC000425295806 483101790 /nfs/dbraw/zinc/10/17/90/483101790.db2.gz QDSFJPBANKMZEI-GFCCVEGCSA-N 1 2 362.386 -1.209 20 0 FAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)c1ccc2c(c1)NC(=O)CNC2=O ZINC000425295807 483102372 /nfs/dbraw/zinc/10/23/72/483102372.db2.gz QDSFJPBANKMZEI-LBPRGKRZSA-N 1 2 362.386 -1.209 20 0 FAADLO CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)n(C)c1 ZINC000425296907 483102474 /nfs/dbraw/zinc/10/24/74/483102474.db2.gz UBOBFOWUPZSLAP-GFCCVEGCSA-N 1 2 374.463 -1.302 20 0 FAADLO CN(C)S(=O)(=O)c1cc(C(=O)N[C@H](CO)C[NH+]2CCOCC2)n(C)c1 ZINC000425296909 483102045 /nfs/dbraw/zinc/10/20/45/483102045.db2.gz UBOBFOWUPZSLAP-LBPRGKRZSA-N 1 2 374.463 -1.302 20 0 FAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000425297468 483105868 /nfs/dbraw/zinc/10/58/68/483105868.db2.gz VGSDXWVLXZEQHH-QLFBSQMISA-N 1 2 371.434 -1.798 20 0 FAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000425297469 483105879 /nfs/dbraw/zinc/10/58/79/483105879.db2.gz VGSDXWVLXZEQHH-SOUVJXGZSA-N 1 2 371.434 -1.798 20 0 FAADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](n3ccnn3)C2)CC1 ZINC000425400364 483122555 /nfs/dbraw/zinc/12/25/55/483122555.db2.gz KAOHSTKIEJPZPY-KBPBESRZSA-N 1 2 350.423 -1.033 20 0 FAADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](n3ccnn3)C2)CC1 ZINC000425400367 483122232 /nfs/dbraw/zinc/12/22/32/483122232.db2.gz KAOHSTKIEJPZPY-KGLIPLIRSA-N 1 2 350.423 -1.033 20 0 FAADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](n3ccnn3)C2)CC1 ZINC000425400368 483121484 /nfs/dbraw/zinc/12/14/84/483121484.db2.gz KAOHSTKIEJPZPY-UONOGXRCSA-N 1 2 350.423 -1.033 20 0 FAADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](n3ccnn3)C2)CC1 ZINC000425400369 483121268 /nfs/dbraw/zinc/12/12/68/483121268.db2.gz KAOHSTKIEJPZPY-ZIAGYGMSSA-N 1 2 350.423 -1.033 20 0 FAADLO CCOC(=O)Cn1cnc(NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)n1 ZINC000425696439 483772735 /nfs/dbraw/zinc/77/27/35/483772735.db2.gz AVWRZNGHFJILJY-UHFFFAOYSA-N 1 2 367.410 -0.745 20 0 FAADLO CCOC(=O)Cn1cnc(NC(=O)N(CCO)CC[NH+]2CCOCC2)n1 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-1.187 20 0 FAADLO COc1ccnc(CNC(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)n1 ZINC000425835999 483349108 /nfs/dbraw/zinc/34/91/08/483349108.db2.gz XPZWPRFTDOXZEZ-LLVKDONJSA-N 1 2 352.395 -1.187 20 0 FAADLO COc1ccnc(CNC(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)n1 ZINC000425836000 483349794 /nfs/dbraw/zinc/34/97/94/483349794.db2.gz XPZWPRFTDOXZEZ-NSHDSACASA-N 1 2 352.395 -1.187 20 0 FAADLO COc1ccnc(CNC(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)n1 ZINC000425836000 483349791 /nfs/dbraw/zinc/34/97/91/483349791.db2.gz XPZWPRFTDOXZEZ-NSHDSACASA-N 1 2 352.395 -1.187 20 0 FAADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)NCCC(=O)N2CCOCC2)CC1 ZINC000426012459 483123586 /nfs/dbraw/zinc/12/35/86/483123586.db2.gz FGERMAIVZQSKAD-UHFFFAOYSA-N 1 2 355.439 -1.174 20 0 FAADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000426177084 272861193 /nfs/dbraw/zinc/86/11/93/272861193.db2.gz CMBXASXBLAINHN-NSHDSACASA-N 1 2 370.431 -1.203 20 0 FAADLO O=C(NCCNS(=O)(=O)Cc1ccon1)NCC[NH+]1CCOCC1 ZINC000426178300 483349629 /nfs/dbraw/zinc/34/96/29/483349629.db2.gz ZVDDFDWUDANLQS-UHFFFAOYSA-N 1 2 361.424 -1.275 20 0 FAADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC[N@H+]1CCO ZINC000426182736 483349757 /nfs/dbraw/zinc/34/97/57/483349757.db2.gz HHWVPMRSRUFJPR-LLVKDONJSA-N 1 2 370.431 -1.203 20 0 FAADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC[N@@H+]1CCO ZINC000426182736 483349755 /nfs/dbraw/zinc/34/97/55/483349755.db2.gz HHWVPMRSRUFJPR-LLVKDONJSA-N 1 2 370.431 -1.203 20 0 FAADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC[N@H+]1CCO ZINC000426182737 483349727 /nfs/dbraw/zinc/34/97/27/483349727.db2.gz HHWVPMRSRUFJPR-NSHDSACASA-N 1 2 370.431 -1.203 20 0 FAADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC[N@@H+]1CCO ZINC000426182737 483349725 /nfs/dbraw/zinc/34/97/25/483349725.db2.gz HHWVPMRSRUFJPR-NSHDSACASA-N 1 2 370.431 -1.203 20 0 FAADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000426189908 483349167 /nfs/dbraw/zinc/34/91/67/483349167.db2.gz CMBXASXBLAINHN-LLVKDONJSA-N 1 2 370.431 -1.203 20 0 FAADLO C[C@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)[C@H](C(N)=O)C1 ZINC000426215610 483349655 /nfs/dbraw/zinc/34/96/55/483349655.db2.gz MULSTQVKCDIHGK-KBPBESRZSA-N 1 2 353.467 -1.195 20 0 FAADLO C[C@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)[C@H](C(N)=O)C1 ZINC000426215610 483349653 /nfs/dbraw/zinc/34/96/53/483349653.db2.gz MULSTQVKCDIHGK-KBPBESRZSA-N 1 2 353.467 -1.195 20 0 FAADLO C[C@@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)[C@H](C(N)=O)C1 ZINC000426215611 483349556 /nfs/dbraw/zinc/34/95/56/483349556.db2.gz MULSTQVKCDIHGK-KGLIPLIRSA-N 1 2 353.467 -1.195 20 0 FAADLO C[C@@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)[C@H](C(N)=O)C1 ZINC000426215611 483349554 /nfs/dbraw/zinc/34/95/54/483349554.db2.gz MULSTQVKCDIHGK-KGLIPLIRSA-N 1 2 353.467 -1.195 20 0 FAADLO C[C@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)[C@@H](C(N)=O)C1 ZINC000426215612 483349400 /nfs/dbraw/zinc/34/94/00/483349400.db2.gz MULSTQVKCDIHGK-UONOGXRCSA-N 1 2 353.467 -1.195 20 0 FAADLO C[C@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)[C@@H](C(N)=O)C1 ZINC000426215612 483349397 /nfs/dbraw/zinc/34/93/97/483349397.db2.gz MULSTQVKCDIHGK-UONOGXRCSA-N 1 2 353.467 -1.195 20 0 FAADLO C[C@@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)[C@@H](C(N)=O)C1 ZINC000426215613 482924286 /nfs/dbraw/zinc/92/42/86/482924286.db2.gz MULSTQVKCDIHGK-ZIAGYGMSSA-N 1 2 353.467 -1.195 20 0 FAADLO C[C@@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)[C@@H](C(N)=O)C1 ZINC000426215613 482924281 /nfs/dbraw/zinc/92/42/81/482924281.db2.gz MULSTQVKCDIHGK-ZIAGYGMSSA-N 1 2 353.467 -1.195 20 0 FAADLO CC(C)NS(=O)(=O)CCNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000426271254 483349735 /nfs/dbraw/zinc/34/97/35/483349735.db2.gz MTSWNHKCEFWSBG-UHFFFAOYSA-N 1 2 363.484 -1.095 20 0 FAADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)NCCNC(=O)c2cnccn2)CC1 ZINC000426307949 482629363 /nfs/dbraw/zinc/62/93/63/482629363.db2.gz UDBAGCNNRNKXDJ-UHFFFAOYSA-N 1 2 363.422 -1.203 20 0 FAADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)NCCCN2C(=O)CNC2=O)CC1 ZINC000426337001 483349435 /nfs/dbraw/zinc/34/94/35/483349435.db2.gz KDEZHJBQOGVDPN-UHFFFAOYSA-N 1 2 354.411 -1.481 20 0 FAADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)CCc3nnc[nH]3)CC2)CC1 ZINC000426523768 483350735 /nfs/dbraw/zinc/35/07/35/483350735.db2.gz MRVXQLBINPWFQT-UHFFFAOYSA-N 1 2 371.467 -1.626 20 0 FAADLO C[NH+]1CCN(S(=O)(=O)N2CCN(c3cncc(C(N)=O)n3)CC2)CC1 ZINC000426598274 483350690 /nfs/dbraw/zinc/35/06/90/483350690.db2.gz JXQCVFQSVQPARY-UHFFFAOYSA-N 1 2 369.451 -1.810 20 0 FAADLO CC1(C)[C@H](O)C[C@H]1NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000426839090 483765377 /nfs/dbraw/zinc/76/53/77/483765377.db2.gz YMUZAUGJOSYCKD-CHWSQXEVSA-N 1 2 365.434 -0.571 20 0 FAADLO CC1(C)[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@@H]1O ZINC000426839091 483765702 /nfs/dbraw/zinc/76/57/02/483765702.db2.gz YMUZAUGJOSYCKD-OLZOCXBDSA-N 1 2 365.434 -0.571 20 0 FAADLO CC1(C)[C@H](O)C[C@@H]1NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000426839092 483765757 /nfs/dbraw/zinc/76/57/57/483765757.db2.gz YMUZAUGJOSYCKD-QWHCGFSZSA-N 1 2 365.434 -0.571 20 0 FAADLO CC1(C)[C@@H](O)C[C@@H]1NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000426839093 483765396 /nfs/dbraw/zinc/76/53/96/483765396.db2.gz YMUZAUGJOSYCKD-STQMWFEESA-N 1 2 365.434 -0.571 20 0 FAADLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)NCc2nnn(C)n2)CC1 ZINC000426904793 272861550 /nfs/dbraw/zinc/86/15/50/272861550.db2.gz KKJDIFSPVKPSON-GFCCVEGCSA-N 1 2 366.426 -1.715 20 0 FAADLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)NCc2nnn(C)n2)CC1 ZINC000426904794 482646886 /nfs/dbraw/zinc/64/68/86/482646886.db2.gz KKJDIFSPVKPSON-LBPRGKRZSA-N 1 2 366.426 -1.715 20 0 FAADLO O=C(CNC(=O)c1cc2c(cn1)nc[nH]c2=O)NCC[NH+]1CCOCC1 ZINC000427004600 482646906 /nfs/dbraw/zinc/64/69/06/482646906.db2.gz IZLKEMLHXGGIDF-UHFFFAOYSA-N 1 2 360.374 -1.091 20 0 FAADLO O=C(CNC(=O)CNC(=O)c1cccc(O)c1)NCC[NH+]1CCOCC1 ZINC000427005165 482646002 /nfs/dbraw/zinc/64/60/02/482646002.db2.gz OYCYYIHQDFWVCD-UHFFFAOYSA-N 1 2 364.402 -1.313 20 0 FAADLO CN(CC[NH+]1CCOCC1)CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000427013393 482646594 /nfs/dbraw/zinc/64/65/94/482646594.db2.gz CEQOFGPFPZTJHE-GFCCVEGCSA-N 1 2 362.452 -1.737 20 0 FAADLO CN(CC[NH+]1CCOCC1)CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000427013396 482645734 /nfs/dbraw/zinc/64/57/34/482645734.db2.gz CEQOFGPFPZTJHE-LBPRGKRZSA-N 1 2 362.452 -1.737 20 0 FAADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)CC1 ZINC000427019187 482646212 /nfs/dbraw/zinc/64/62/12/482646212.db2.gz IMJWPNDTKRWJDG-NSHDSACASA-N 1 2 370.431 -1.051 20 0 FAADLO COc1ncc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1C(N)=O ZINC000427032292 482646651 /nfs/dbraw/zinc/64/66/51/482646651.db2.gz ASCJFRHVRAYGJS-JTQLQIEISA-N 1 2 365.390 -1.347 20 0 FAADLO COC[C@@H](C)n1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000427036583 483769720 /nfs/dbraw/zinc/76/97/20/483769720.db2.gz YXAXQIKZMSTWGO-OLZOCXBDSA-N 1 2 353.423 -0.446 20 0 FAADLO COC[C@H](C)n1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000427036584 483770545 /nfs/dbraw/zinc/77/05/45/483770545.db2.gz YXAXQIKZMSTWGO-STQMWFEESA-N 1 2 353.423 -0.446 20 0 FAADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000427038304 482645657 /nfs/dbraw/zinc/64/56/57/482645657.db2.gz LPPDQQWHIOCOFB-NSHDSACASA-N 1 2 370.431 -1.203 20 0 FAADLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)NCc2nnn(C)n2)CC1 ZINC000427108301 272861720 /nfs/dbraw/zinc/86/17/20/272861720.db2.gz NNLFANKKAIGQLB-GFCCVEGCSA-N 1 2 368.442 -1.422 20 0 FAADLO COCCCNC(=O)[C@H](C)[NH+]1CCN(C(=O)NCc2nnn(C)n2)CC1 ZINC000427108308 482648496 /nfs/dbraw/zinc/64/84/96/482648496.db2.gz NNLFANKKAIGQLB-LBPRGKRZSA-N 1 2 368.442 -1.422 20 0 FAADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@H]1CCCC[C@@H]1O ZINC000427268215 483768865 /nfs/dbraw/zinc/76/88/65/483768865.db2.gz WFDLJUNURPRSCY-KBPBESRZSA-N 1 2 365.434 -0.427 20 0 FAADLO CC[C@]1(O)CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000427304602 483775568 /nfs/dbraw/zinc/77/55/68/483775568.db2.gz LWCBNFBCBISZBY-KRWDZBQOSA-N 1 2 365.434 -0.473 20 0 FAADLO CC[C@@]1(O)CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000427304603 483775756 /nfs/dbraw/zinc/77/57/56/483775756.db2.gz LWCBNFBCBISZBY-QGZVFWFLSA-N 1 2 365.434 -0.473 20 0 FAADLO COC[C@@H](C)n1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)n1 ZINC000427394258 483769893 /nfs/dbraw/zinc/76/98/93/483769893.db2.gz GMPVGMLKKPOKHS-CHWSQXEVSA-N 1 2 353.423 -0.446 20 0 FAADLO COC[C@@H](C)n1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)n1 ZINC000427394258 483769889 /nfs/dbraw/zinc/76/98/89/483769889.db2.gz GMPVGMLKKPOKHS-CHWSQXEVSA-N 1 2 353.423 -0.446 20 0 FAADLO COC[C@H](C)n1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)n1 ZINC000427394259 483770554 /nfs/dbraw/zinc/77/05/54/483770554.db2.gz GMPVGMLKKPOKHS-OLZOCXBDSA-N 1 2 353.423 -0.446 20 0 FAADLO COC[C@H](C)n1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)n1 ZINC000427394259 483770553 /nfs/dbraw/zinc/77/05/53/483770553.db2.gz GMPVGMLKKPOKHS-OLZOCXBDSA-N 1 2 353.423 -0.446 20 0 FAADLO COC[C@@H](C)n1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)n1 ZINC000427394260 483769921 /nfs/dbraw/zinc/76/99/21/483769921.db2.gz GMPVGMLKKPOKHS-QWHCGFSZSA-N 1 2 353.423 -0.446 20 0 FAADLO COC[C@@H](C)n1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)n1 ZINC000427394260 483769919 /nfs/dbraw/zinc/76/99/19/483769919.db2.gz GMPVGMLKKPOKHS-QWHCGFSZSA-N 1 2 353.423 -0.446 20 0 FAADLO COC[C@H](C)n1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)n1 ZINC000427394261 483770242 /nfs/dbraw/zinc/77/02/42/483770242.db2.gz GMPVGMLKKPOKHS-STQMWFEESA-N 1 2 353.423 -0.446 20 0 FAADLO COC[C@H](C)n1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)n1 ZINC000427394261 483770240 /nfs/dbraw/zinc/77/02/40/483770240.db2.gz GMPVGMLKKPOKHS-STQMWFEESA-N 1 2 353.423 -0.446 20 0 FAADLO COc1ncc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1C(N)=O ZINC000427397451 482681203 /nfs/dbraw/zinc/68/12/03/482681203.db2.gz VZTGZJIAAYDYKF-JTQLQIEISA-N 1 2 365.390 -1.347 20 0 FAADLO COc1ncc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1C(N)=O ZINC000427397451 482681190 /nfs/dbraw/zinc/68/11/90/482681190.db2.gz VZTGZJIAAYDYKF-JTQLQIEISA-N 1 2 365.390 -1.347 20 0 FAADLO COc1ncc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1C(N)=O ZINC000427397457 482680619 /nfs/dbraw/zinc/68/06/19/482680619.db2.gz VZTGZJIAAYDYKF-SNVBAGLBSA-N 1 2 365.390 -1.347 20 0 FAADLO COc1ncc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1C(N)=O ZINC000427397457 482680608 /nfs/dbraw/zinc/68/06/08/482680608.db2.gz VZTGZJIAAYDYKF-SNVBAGLBSA-N 1 2 365.390 -1.347 20 0 FAADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)CC[N@H+]1CCO ZINC000427410102 482681032 /nfs/dbraw/zinc/68/10/32/482681032.db2.gz ZUBSCIWTIOAVPA-LLVKDONJSA-N 1 2 370.431 -1.051 20 0 FAADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)CC[N@@H+]1CCO ZINC000427410102 482681025 /nfs/dbraw/zinc/68/10/25/482681025.db2.gz ZUBSCIWTIOAVPA-LLVKDONJSA-N 1 2 370.431 -1.051 20 0 FAADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)CC[N@H+]1CCO ZINC000427410103 482680685 /nfs/dbraw/zinc/68/06/85/482680685.db2.gz ZUBSCIWTIOAVPA-NSHDSACASA-N 1 2 370.431 -1.051 20 0 FAADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)CC[N@@H+]1CCO ZINC000427410103 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483492124 /nfs/dbraw/zinc/49/21/24/483492124.db2.gz FCCUINCVMFDYDG-HNNXBMFYSA-N 1 2 370.431 -1.236 20 0 FAADLO CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2CC[C@](O)(C(N)=O)C2)ccc1C ZINC000502891679 483492485 /nfs/dbraw/zinc/49/24/85/483492485.db2.gz FCCUINCVMFDYDG-OAHLLOKOSA-N 1 2 370.431 -1.236 20 0 FAADLO CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2CC[C@](O)(C(N)=O)C2)ccc1C ZINC000502891679 483492478 /nfs/dbraw/zinc/49/24/78/483492478.db2.gz FCCUINCVMFDYDG-OAHLLOKOSA-N 1 2 370.431 -1.236 20 0 FAADLO O=C(CO)N1CCN(CCOCC[NH+]2CCN(C(=O)CO)CC2)CC1 ZINC000503152772 483491650 /nfs/dbraw/zinc/49/16/50/483491650.db2.gz ACIOBRYGCUWFDZ-UHFFFAOYSA-N 1 2 358.439 -2.724 20 0 FAADLO CS[C@@H]1CN(S(=O)(=O)N2CCS(=O)(=O)CC2)C[C@H]1[NH+](C)C ZINC000503207076 483492143 /nfs/dbraw/zinc/49/21/43/483492143.db2.gz JDTZIJNPUWWHST-GHMZBOCLSA-N 1 2 357.523 -1.061 20 0 FAADLO CS[C@H]1CN(S(=O)(=O)N2CCS(=O)(=O)CC2)C[C@H]1[NH+](C)C ZINC000503207077 483491742 /nfs/dbraw/zinc/49/17/42/483491742.db2.gz JDTZIJNPUWWHST-MNOVXSKESA-N 1 2 357.523 -1.061 20 0 FAADLO CS[C@H]1CN(S(=O)(=O)N2CCS(=O)(=O)CC2)C[C@@H]1[NH+](C)C ZINC000503207078 483492349 /nfs/dbraw/zinc/49/23/49/483492349.db2.gz JDTZIJNPUWWHST-QWRGUYRKSA-N 1 2 357.523 -1.061 20 0 FAADLO CS[C@@H]1CN(S(=O)(=O)N2CCS(=O)(=O)CC2)C[C@@H]1[NH+](C)C ZINC000503207079 483492645 /nfs/dbraw/zinc/49/26/45/483492645.db2.gz JDTZIJNPUWWHST-WDEREUQCSA-N 1 2 357.523 -1.061 20 0 FAADLO O=C(CO)N1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000503502262 483494017 /nfs/dbraw/zinc/49/40/17/483494017.db2.gz JLIZYUKVNGZYDZ-UHFFFAOYSA-N 1 2 366.422 -1.116 20 0 FAADLO Cn1cc(OCC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000503599849 483493371 /nfs/dbraw/zinc/49/33/71/483493371.db2.gz SPEIUYGBNSHVIE-CYBMUJFWSA-N 1 2 351.407 -1.152 20 0 FAADLO Cn1cc(OCC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000503599850 483493519 /nfs/dbraw/zinc/49/35/19/483493519.db2.gz SPEIUYGBNSHVIE-ZDUSSCGKSA-N 1 2 351.407 -1.152 20 0 FAADLO NC(=O)[C@@H]1CCCN(C(=O)C[NH+]2CCN(c3ccc4nncn4n3)CC2)C1 ZINC000503619795 483494106 /nfs/dbraw/zinc/49/41/06/483494106.db2.gz SCUUPOVFKNRSTI-CYBMUJFWSA-N 1 2 372.433 -1.030 20 0 FAADLO NC(=O)[C@H]1CCCN(C(=O)C[NH+]2CCN(c3ccc4nncn4n3)CC2)C1 ZINC000503619796 483493131 /nfs/dbraw/zinc/49/31/31/483493131.db2.gz SCUUPOVFKNRSTI-ZDUSSCGKSA-N 1 2 372.433 -1.030 20 0 FAADLO C[NH+]1CCN(S(=O)(=O)N2CCN(CCNS(C)(=O)=O)CC2)CC1 ZINC000503971017 483493103 /nfs/dbraw/zinc/49/31/03/483493103.db2.gz YTBNMJGPBMJGKE-UHFFFAOYSA-N 1 2 369.513 -2.355 20 0 FAADLO CC[N@H+]1CCO[C@@H](C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)C1 ZINC000504259003 483495346 /nfs/dbraw/zinc/49/53/46/483495346.db2.gz VDDPUDOMUIWMQP-LLVKDONJSA-N 1 2 358.424 -1.642 20 0 FAADLO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)C1 ZINC000504259003 483495341 /nfs/dbraw/zinc/49/53/41/483495341.db2.gz VDDPUDOMUIWMQP-LLVKDONJSA-N 1 2 358.424 -1.642 20 0 FAADLO CC[N@H+]1CCO[C@H](C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)C1 ZINC000504259004 483495771 /nfs/dbraw/zinc/49/57/71/483495771.db2.gz VDDPUDOMUIWMQP-NSHDSACASA-N 1 2 358.424 -1.642 20 0 FAADLO CC[N@@H+]1CCO[C@H](C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)C1 ZINC000504259004 483495767 /nfs/dbraw/zinc/49/57/67/483495767.db2.gz VDDPUDOMUIWMQP-NSHDSACASA-N 1 2 358.424 -1.642 20 0 FAADLO CN1CC(=O)N(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1=O ZINC000504525162 483495699 /nfs/dbraw/zinc/49/56/99/483495699.db2.gz VSTKDIMEHWKNNV-UHFFFAOYSA-N 1 2 372.389 -1.094 20 0 FAADLO COC(=O)c1cn(CCNC(=O)N(CCO)CC[NH+]2CCOCC2)nn1 ZINC000504733890 272887886 /nfs/dbraw/zinc/88/78/86/272887886.db2.gz MXUTZXTWHKAKJJ-UHFFFAOYSA-N 1 2 370.410 -1.599 20 0 FAADLO COC(=O)c1cn(CCNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)nn1 ZINC000505009412 272887741 /nfs/dbraw/zinc/88/77/41/272887741.db2.gz SCDZSSNOMZNMOR-GFCCVEGCSA-N 1 2 370.410 -1.601 20 0 FAADLO COC(=O)c1cn(CCNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)nn1 ZINC000505009413 483497046 /nfs/dbraw/zinc/49/70/46/483497046.db2.gz SCDZSSNOMZNMOR-LBPRGKRZSA-N 1 2 370.410 -1.601 20 0 FAADLO CNC(=O)Cn1nc(NC(=O)C(=O)N2CC[NH+](CCOC)CC2)cc1C ZINC000505012716 483760536 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COCCCNC(=O)[C@H](C)[NH+]1CCN(C(=O)Cn2cccnc2=O)CC1 ZINC000505971970 483498513 /nfs/dbraw/zinc/49/85/13/483498513.db2.gz SXIIGSIZNGGOHB-AWEZNQCLSA-N 1 2 365.434 -1.071 20 0 FAADLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)Cn2cccnc2=O)CC1 ZINC000505971971 483498595 /nfs/dbraw/zinc/49/85/95/483498595.db2.gz SXIIGSIZNGGOHB-CQSZACIVSA-N 1 2 365.434 -1.071 20 0 FAADLO CN(C)c1ncc(C[N@@H+](C)CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cn1 ZINC000506036489 483498426 /nfs/dbraw/zinc/49/84/26/483498426.db2.gz MXTYCLVMKRKPBE-UHFFFAOYSA-N 1 2 361.406 -1.163 20 0 FAADLO CN(C)c1ncc(C[N@H+](C)CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cn1 ZINC000506036489 483498418 /nfs/dbraw/zinc/49/84/18/483498418.db2.gz MXTYCLVMKRKPBE-UHFFFAOYSA-N 1 2 361.406 -1.163 20 0 FAADLO C[NH+]1CCN(S(=O)(=O)N2CCN(c3ncnc4n[nH]cc43)CC2)CC1 ZINC000506051393 483498862 /nfs/dbraw/zinc/49/88/62/483498862.db2.gz KGVHQQSMGFFSRB-UHFFFAOYSA-N 1 2 366.451 -1.033 20 0 FAADLO NC(=O)c1ccc(NC(=O)CC[NH+]2CCN(S(N)(=O)=O)CC2)cc1 ZINC000506120544 483498237 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COCCCNC(=O)[C@H](C)[NH+]1CCN(CC(=O)N2CCNC(=O)C2)CC1 ZINC000507683487 483500302 /nfs/dbraw/zinc/50/03/02/483500302.db2.gz KTKMYDMCTDFESQ-AWEZNQCLSA-N 1 2 369.466 -1.896 20 0 FAADLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(CC(=O)N2CCNC(=O)C2)CC1 ZINC000507683488 483500313 /nfs/dbraw/zinc/50/03/13/483500313.db2.gz KTKMYDMCTDFESQ-CQSZACIVSA-N 1 2 369.466 -1.896 20 0 FAADLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(Cc2nc(N)nc(N)n2)CC1 ZINC000507689464 483501235 /nfs/dbraw/zinc/50/12/35/483501235.db2.gz VDWKPSLKNONRIN-LLVKDONJSA-N 1 2 352.443 -1.644 20 0 FAADLO COCCCNC(=O)[C@H](C)[NH+]1CCN(Cc2nc(N)nc(N)n2)CC1 ZINC000507689466 483500771 /nfs/dbraw/zinc/50/07/71/483500771.db2.gz VDWKPSLKNONRIN-NSHDSACASA-N 1 2 352.443 -1.644 20 0 FAADLO C[C@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)S(N)(=O)=O ZINC000507710952 483500694 /nfs/dbraw/zinc/50/06/94/483500694.db2.gz XDURNNWSCHDPIF-NEPJUHHUSA-N 1 2 362.452 -2.040 20 0 FAADLO C[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)S(N)(=O)=O ZINC000507710953 483500825 /nfs/dbraw/zinc/50/08/25/483500825.db2.gz XDURNNWSCHDPIF-NWDGAFQWSA-N 1 2 362.452 -2.040 20 0 FAADLO C[C@@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)S(N)(=O)=O ZINC000507710954 483500350 /nfs/dbraw/zinc/50/03/50/483500350.db2.gz XDURNNWSCHDPIF-RYUDHWBXSA-N 1 2 362.452 -2.040 20 0 FAADLO C[C@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)S(N)(=O)=O ZINC000507710956 483500911 /nfs/dbraw/zinc/50/09/11/483500911.db2.gz XDURNNWSCHDPIF-VXGBXAGGSA-N 1 2 362.452 -2.040 20 0 FAADLO CCNC(=O)NC(=O)CN1CC[NH+]([C@H](C)C(=O)NCCCOC)CC1 ZINC000507757038 483502392 /nfs/dbraw/zinc/50/23/92/483502392.db2.gz ILULWFUAKYNLFC-CYBMUJFWSA-N 1 2 357.455 -1.009 20 0 FAADLO CCNC(=O)NC(=O)CN1CC[NH+]([C@@H](C)C(=O)NCCCOC)CC1 ZINC000507757043 272888319 /nfs/dbraw/zinc/88/83/19/272888319.db2.gz ILULWFUAKYNLFC-ZDUSSCGKSA-N 1 2 357.455 -1.009 20 0 FAADLO CNC(=O)NC(=O)[C@@H](C)N1CC[NH+]([C@H](C)C(=O)NCCCOC)CC1 ZINC000507758314 483502219 /nfs/dbraw/zinc/50/22/19/483502219.db2.gz MNMKCPMVBYNGHY-CHWSQXEVSA-N 1 2 357.455 -1.011 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ZINC000542888239 483573389 /nfs/dbraw/zinc/57/33/89/483573389.db2.gz SWOVKMNMUPNPST-NEPJUHHUSA-N 1 2 364.468 -1.747 20 0 FAADLO CC(C)[C@@H](CNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[NH+]1CCOCC1 ZINC000542888245 483573087 /nfs/dbraw/zinc/57/30/87/483573087.db2.gz SWOVKMNMUPNPST-NWDGAFQWSA-N 1 2 364.468 -1.747 20 0 FAADLO CC(C)[C@H](CNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[NH+]1CCOCC1 ZINC000542888249 483573282 /nfs/dbraw/zinc/57/32/82/483573282.db2.gz SWOVKMNMUPNPST-RYUDHWBXSA-N 1 2 364.468 -1.747 20 0 FAADLO CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)[NH+]1CCOCC1 ZINC000542888253 483573703 /nfs/dbraw/zinc/57/37/03/483573703.db2.gz SWOVKMNMUPNPST-VXGBXAGGSA-N 1 2 364.468 -1.747 20 0 FAADLO C[C@@H](CNC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)S(N)(=O)=O ZINC000542890160 483573496 /nfs/dbraw/zinc/57/34/96/483573496.db2.gz XCJARIMIVVMSAJ-DCAQKATOSA-N 1 2 350.441 -1.995 20 0 FAADLO C[C@H]([C@H](C)NC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[NH+]1CCOCC1 ZINC000542890161 483573104 /nfs/dbraw/zinc/57/31/04/483573104.db2.gz XCJARIMIVVMSAJ-GARJFASQSA-N 1 2 350.441 -1.995 20 0 FAADLO C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)S(N)(=O)=O ZINC000542890162 483573179 /nfs/dbraw/zinc/57/31/79/483573179.db2.gz XCJARIMIVVMSAJ-OUAUKWLOSA-N 1 2 350.441 -1.995 20 0 FAADLO C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)S(N)(=O)=O ZINC000542890163 483573370 /nfs/dbraw/zinc/57/33/70/483573370.db2.gz XCJARIMIVVMSAJ-VWYCJHECSA-N 1 2 350.441 -1.995 20 0 FAADLO O=C(NCCCn1ccnn1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000543358656 483575020 /nfs/dbraw/zinc/57/50/20/483575020.db2.gz IANFBKXDMIDBQK-AWEZNQCLSA-N 1 2 350.423 -1.035 20 0 FAADLO O=C(NCCCn1ccnn1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000543358657 483575221 /nfs/dbraw/zinc/57/52/21/483575221.db2.gz IANFBKXDMIDBQK-CQSZACIVSA-N 1 2 350.423 -1.035 20 0 FAADLO Cn1cc(S(=O)(=O)NCC[N@H+]2CCC[C@H](S(N)(=O)=O)C2)cn1 ZINC000543439314 483575043 /nfs/dbraw/zinc/57/50/43/483575043.db2.gz CRKVEGNBAIIDEB-JTQLQIEISA-N 1 2 351.454 -1.549 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/nfs/dbraw/zinc/57/52/95/483575295.db2.gz CPFYFZDPAAOYTA-JTQLQIEISA-N 1 2 350.441 -1.993 20 0 FAADLO C[C@H](CNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1)S(N)(=O)=O ZINC000543800297 483574642 /nfs/dbraw/zinc/57/46/42/483574642.db2.gz CPFYFZDPAAOYTA-SNVBAGLBSA-N 1 2 350.441 -1.993 20 0 FAADLO CN(C)S(=O)(=O)CC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000544195511 483577045 /nfs/dbraw/zinc/57/70/45/483577045.db2.gz KYGMRSFSKXZHRL-UHFFFAOYSA-N 1 2 356.452 -1.394 20 0 FAADLO CN(CCCNC(=O)C[N@H+]1CCC[C@@H](S(N)(=O)=O)C1)S(C)(=O)=O ZINC000544397284 483577499 /nfs/dbraw/zinc/57/74/99/483577499.db2.gz BSRRYRMXPCCMJJ-LLVKDONJSA-N 1 2 370.497 -1.863 20 0 FAADLO CN(CCCNC(=O)C[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1)S(C)(=O)=O ZINC000544397284 483577494 /nfs/dbraw/zinc/57/74/94/483577494.db2.gz BSRRYRMXPCCMJJ-LLVKDONJSA-N 1 2 370.497 -1.863 20 0 FAADLO CN(CCCNC(=O)C[N@H+]1CCC[C@H](S(N)(=O)=O)C1)S(C)(=O)=O ZINC000544397285 483577164 /nfs/dbraw/zinc/57/71/64/483577164.db2.gz BSRRYRMXPCCMJJ-NSHDSACASA-N 1 2 370.497 -1.863 20 0 FAADLO CN(CCCNC(=O)C[N@@H+]1CCC[C@H](S(N)(=O)=O)C1)S(C)(=O)=O ZINC000544397285 483577161 /nfs/dbraw/zinc/57/71/61/483577161.db2.gz BSRRYRMXPCCMJJ-NSHDSACASA-N 1 2 370.497 -1.863 20 0 FAADLO COc1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)on1 ZINC000544405596 483577010 /nfs/dbraw/zinc/57/70/10/483577010.db2.gz UXFONNVKHMAECT-UHFFFAOYSA-N 1 2 373.435 -1.067 20 0 FAADLO C[NH+]1CCN(S(=O)(=O)N2CCN(S(=O)(=O)NC3CC3)CC2)CC1 ZINC000544411681 483577759 /nfs/dbraw/zinc/57/77/59/483577759.db2.gz COJOIFLNSWFLKG-UHFFFAOYSA-N 1 2 367.497 -1.907 20 0 FAADLO O=C(Nc1cccnc1N1CCOCC1)C(=O)N1CC[NH+](CCO)CC1 ZINC000544493653 483577643 /nfs/dbraw/zinc/57/76/43/483577643.db2.gz LCUHBVUPOBNCCM-UHFFFAOYSA-N 1 2 363.418 -1.007 20 0 FAADLO NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000544495700 483577589 /nfs/dbraw/zinc/57/75/89/483577589.db2.gz OEQBWTGYIJVKJJ-UHFFFAOYSA-N 1 2 374.394 -1.452 20 0 FAADLO CNC(=O)COc1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000544496163 483577147 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COC(=O)c1cn([C@@H]2CC[N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)C2)nn1 ZINC000544899556 483579056 /nfs/dbraw/zinc/57/90/56/483579056.db2.gz YRGITHPUAWWNAA-GHMZBOCLSA-N 1 2 352.395 -1.096 20 0 FAADLO COC(=O)c1cn([C@H]2CC[N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)C2)nn1 ZINC000544899557 483579450 /nfs/dbraw/zinc/57/94/50/483579450.db2.gz YRGITHPUAWWNAA-MNOVXSKESA-N 1 2 352.395 -1.096 20 0 FAADLO COC(=O)c1cn([C@H]2CC[N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)C2)nn1 ZINC000544899557 483579446 /nfs/dbraw/zinc/57/94/46/483579446.db2.gz YRGITHPUAWWNAA-MNOVXSKESA-N 1 2 352.395 -1.096 20 0 FAADLO COC(=O)c1cn([C@H]2CC[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C2)nn1 ZINC000544899560 483579495 /nfs/dbraw/zinc/57/94/95/483579495.db2.gz YRGITHPUAWWNAA-QWRGUYRKSA-N 1 2 352.395 -1.096 20 0 FAADLO COC(=O)c1cn([C@H]2CC[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C2)nn1 ZINC000544899560 483579490 /nfs/dbraw/zinc/57/94/90/483579490.db2.gz YRGITHPUAWWNAA-QWRGUYRKSA-N 1 2 352.395 -1.096 20 0 FAADLO COC(=O)c1cn([C@@H]2CC[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C2)nn1 ZINC000544899562 483579025 /nfs/dbraw/zinc/57/90/25/483579025.db2.gz YRGITHPUAWWNAA-WDEREUQCSA-N 1 2 352.395 -1.096 20 0 FAADLO COC(=O)c1cn([C@@H]2CC[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C2)nn1 ZINC000544899562 483579020 /nfs/dbraw/zinc/57/90/20/483579020.db2.gz YRGITHPUAWWNAA-WDEREUQCSA-N 1 2 352.395 -1.096 20 0 FAADLO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)C1 ZINC000545159275 483579273 /nfs/dbraw/zinc/57/92/73/483579273.db2.gz ASTLPNCNTBSLDU-CYBMUJFWSA-N 1 2 355.376 -1.219 20 0 FAADLO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)C1 ZINC000545159275 483579269 /nfs/dbraw/zinc/57/92/69/483579269.db2.gz ASTLPNCNTBSLDU-CYBMUJFWSA-N 1 2 355.376 -1.219 20 0 FAADLO C[N@H+]1CC[C@](O)(CNS(=O)(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)C1 ZINC000545159276 483578846 /nfs/dbraw/zinc/57/88/46/483578846.db2.gz ASTLPNCNTBSLDU-ZDUSSCGKSA-N 1 2 355.376 -1.219 20 0 FAADLO 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483578434 /nfs/dbraw/zinc/57/84/34/483578434.db2.gz KMTMPVMTVJVMOM-ZIAGYGMSSA-N 1 2 367.450 -1.303 20 0 FAADLO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000545268106 483578612 /nfs/dbraw/zinc/57/86/12/483578612.db2.gz SXSNZLBAVMVSDF-KRWDZBQOSA-N 1 2 354.451 -1.290 20 0 FAADLO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000545268106 483578608 /nfs/dbraw/zinc/57/86/08/483578608.db2.gz SXSNZLBAVMVSDF-KRWDZBQOSA-N 1 2 354.451 -1.290 20 0 FAADLO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCO[C@]3(CCOC3)C2)CC1 ZINC000545268107 483578571 /nfs/dbraw/zinc/57/85/71/483578571.db2.gz SXSNZLBAVMVSDF-QGZVFWFLSA-N 1 2 354.451 -1.290 20 0 FAADLO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCO[C@]3(CCOC3)C2)CC1 ZINC000545268107 483578568 /nfs/dbraw/zinc/57/85/68/483578568.db2.gz SXSNZLBAVMVSDF-QGZVFWFLSA-N 1 2 354.451 -1.290 20 0 FAADLO Cc1nc(N2CCN(C(=O)C(=O)NC[C@H](C)S(N)(=O)=O)CC2)cc[nH+]1 ZINC000545393217 483581202 /nfs/dbraw/zinc/58/12/02/483581202.db2.gz KFWMMELIWJMARX-JTQLQIEISA-N 1 2 370.435 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483581646 /nfs/dbraw/zinc/58/16/46/483581646.db2.gz UYAPCVOAQPTGLX-SNVBAGLBSA-N 1 2 374.405 -1.217 20 0 FAADLO CN1CC[N@H+](C)C[C@@H]1c1noc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)n1 ZINC000546495496 483581643 /nfs/dbraw/zinc/58/16/43/483581643.db2.gz UYAPCVOAQPTGLX-SNVBAGLBSA-N 1 2 374.405 -1.217 20 0 FAADLO Cn1cnc2c1c(=O)n(Cc1nc([C@@H]3C[N@@H+](C)CCN3C)no1)c(=O)n2C ZINC000546498079 483581584 /nfs/dbraw/zinc/58/15/84/483581584.db2.gz DKCBXDSZCLSYQM-JTQLQIEISA-N 1 2 374.405 -1.217 20 0 FAADLO Cn1cnc2c1c(=O)n(Cc1nc([C@@H]3C[N@H+](C)CCN3C)no1)c(=O)n2C ZINC000546498079 483581579 /nfs/dbraw/zinc/58/15/79/483581579.db2.gz DKCBXDSZCLSYQM-JTQLQIEISA-N 1 2 374.405 -1.217 20 0 FAADLO Cn1cnc2c1c(=O)n(Cc1nc([C@H]3C[N@@H+](C)CCN3C)no1)c(=O)n2C ZINC000546498080 483581761 /nfs/dbraw/zinc/58/17/61/483581761.db2.gz DKCBXDSZCLSYQM-SNVBAGLBSA-N 1 2 374.405 -1.217 20 0 FAADLO Cn1cnc2c1c(=O)n(Cc1nc([C@H]3C[N@H+](C)CCN3C)no1)c(=O)n2C ZINC000546498080 483581757 /nfs/dbraw/zinc/58/17/57/483581757.db2.gz DKCBXDSZCLSYQM-SNVBAGLBSA-N 1 2 374.405 -1.217 20 0 FAADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@H](CO)[C@@H](O)C1 ZINC000546695319 483584146 /nfs/dbraw/zinc/58/41/46/483584146.db2.gz VQDLCDKMEPIKKP-ILXRZTDVSA-N 1 2 355.435 -1.631 20 0 FAADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@@H](CO)[C@@H](O)C1 ZINC000546695320 483584398 /nfs/dbraw/zinc/58/43/98/483584398.db2.gz VQDLCDKMEPIKKP-KKUMJFAQSA-N 1 2 355.435 -1.631 20 0 FAADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@H](CO)[C@H](O)C1 ZINC000546695321 483583695 /nfs/dbraw/zinc/58/36/95/483583695.db2.gz VQDLCDKMEPIKKP-QLFBSQMISA-N 1 2 355.435 -1.631 20 0 FAADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@@H](CO)[C@H](O)C1 ZINC000546695322 483584358 /nfs/dbraw/zinc/58/43/58/483584358.db2.gz VQDLCDKMEPIKKP-SOUVJXGZSA-N 1 2 355.435 -1.631 20 0 FAADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)c3cncnc3)CC2)CC1 ZINC000546866459 483583312 /nfs/dbraw/zinc/58/33/12/483583312.db2.gz LPEFJXHTGHXGIR-UHFFFAOYSA-N 1 2 354.436 -1.273 20 0 FAADLO CN(C[C@H](O)CN1CCOCC1)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000547331073 483585705 /nfs/dbraw/zinc/58/57/05/483585705.db2.gz IZUMPVAPAWPAOM-HNNXBMFYSA-N 1 2 365.496 -1.337 20 0 FAADLO CN(C[C@@H](O)CN1CCOCC1)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000547331074 483585448 /nfs/dbraw/zinc/58/54/48/483585448.db2.gz IZUMPVAPAWPAOM-OAHLLOKOSA-N 1 2 365.496 -1.337 20 0 FAADLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)N[C@H]2CCN(C)C2=O)CC1 ZINC000547457141 483585811 /nfs/dbraw/zinc/58/58/11/483585811.db2.gz WNDDJMGBKYOTCW-KBPBESRZSA-N 1 2 367.450 -1.208 20 0 FAADLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)N[C@H]2CCN(C)C2=O)CC1 ZINC000547457142 483585324 /nfs/dbraw/zinc/58/53/24/483585324.db2.gz WNDDJMGBKYOTCW-KGLIPLIRSA-N 1 2 367.450 -1.208 20 0 FAADLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)N[C@@H]2CCN(C)C2=O)CC1 ZINC000547457143 483585593 /nfs/dbraw/zinc/58/55/93/483585593.db2.gz WNDDJMGBKYOTCW-UONOGXRCSA-N 1 2 367.450 -1.208 20 0 FAADLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)N[C@@H]2CCN(C)C2=O)CC1 ZINC000547457144 483585044 /nfs/dbraw/zinc/58/50/44/483585044.db2.gz WNDDJMGBKYOTCW-ZIAGYGMSSA-N 1 2 367.450 -1.208 20 0 FAADLO Cn1c[nH+]cc1CC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000547539636 483585667 /nfs/dbraw/zinc/58/56/67/483585667.db2.gz YMQFUMQYRCPSTK-UHFFFAOYSA-N 1 2 370.479 -1.401 20 0 FAADLO Cn1cnc2c1c(=O)n(CC(=O)N[C@H]1CCn3cc[nH+]c3C1)c(=O)n2C ZINC000547658646 483586935 /nfs/dbraw/zinc/58/69/35/483586935.db2.gz ICDSCSUURIQYRE-JTQLQIEISA-N 1 2 357.374 -1.239 20 0 FAADLO Cn1cnc2c1c(=O)n(CC(=O)N[C@@H]1CCn3cc[nH+]c3C1)c(=O)n2C ZINC000547658647 483586250 /nfs/dbraw/zinc/58/62/50/483586250.db2.gz ICDSCSUURIQYRE-SNVBAGLBSA-N 1 2 357.374 -1.239 20 0 FAADLO COc1cc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)nn1C ZINC000548143856 483774304 /nfs/dbraw/zinc/77/43/04/483774304.db2.gz OCTJUILBLGHIDK-GFCCVEGCSA-N 1 2 351.407 -0.452 20 0 FAADLO COc1cc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)nn1C ZINC000548143857 483774372 /nfs/dbraw/zinc/77/43/72/483774372.db2.gz OCTJUILBLGHIDK-LBPRGKRZSA-N 1 2 351.407 -0.452 20 0 FAADLO CC(=O)N1CC[NH+](CCNC(=O)[C@@](C)(O)Cn2ccccc2=O)CC1 ZINC000548387952 483589556 /nfs/dbraw/zinc/58/95/56/483589556.db2.gz AKYADHJFOAWMKC-KRWDZBQOSA-N 1 2 350.419 -1.120 20 0 FAADLO CC(=O)N1CC[NH+](CCNC(=O)[C@](C)(O)Cn2ccccc2=O)CC1 ZINC000548387953 483589806 /nfs/dbraw/zinc/58/98/06/483589806.db2.gz AKYADHJFOAWMKC-QGZVFWFLSA-N 1 2 350.419 -1.120 20 0 FAADLO O=C(NCC1(O)CCOCC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000548469875 483590427 /nfs/dbraw/zinc/59/04/27/483590427.db2.gz MMURSWDHNFXPRY-AWEZNQCLSA-N 1 2 355.435 -1.175 20 0 FAADLO O=C(NCC1(O)CCOCC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000548469876 483590459 /nfs/dbraw/zinc/59/04/59/483590459.db2.gz MMURSWDHNFXPRY-CQSZACIVSA-N 1 2 355.435 -1.175 20 0 FAADLO Cc1nc(NC[C@H](C)S(C)(=O)=O)nc(NC[C@@H](C)S(C)(=O)=O)[nH+]1 ZINC000548490664 483591105 /nfs/dbraw/zinc/59/11/05/483591105.db2.gz NNZPKMGZPNLCAH-DTORHVGOSA-N 1 2 365.481 -1.286 20 0 FAADLO Cc1nc(NC[C@@H](C)S(C)(=O)=O)nc(NC[C@H](C)S(C)(=O)=O)[nH+]1 ZINC000548490664 483591098 /nfs/dbraw/zinc/59/10/98/483591098.db2.gz NNZPKMGZPNLCAH-DTORHVGOSA-N 1 2 365.481 -1.286 20 0 FAADLO Cc1nc(NC[C@H](C)S(C)(=O)=O)nc(NC[C@H](C)S(C)(=O)=O)[nH+]1 ZINC000548490665 483591427 /nfs/dbraw/zinc/59/14/27/483591427.db2.gz NNZPKMGZPNLCAH-IUCAKERBSA-N 1 2 365.481 -1.286 20 0 FAADLO Cc1nc(NC[C@@H](C)S(C)(=O)=O)nc(NC[C@@H](C)S(C)(=O)=O)[nH+]1 ZINC000548490666 483591250 /nfs/dbraw/zinc/59/12/50/483591250.db2.gz NNZPKMGZPNLCAH-RKDXNWHRSA-N 1 2 365.481 -1.286 20 0 FAADLO O=C(C[N@@H+]1C[C@H](O)C2(CC2)C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000548623044 483592221 /nfs/dbraw/zinc/59/22/21/483592221.db2.gz ATFHRGHUZAMDMN-KBPBESRZSA-N 1 2 357.476 -1.226 20 0 FAADLO O=C(C[N@H+]1C[C@H](O)C2(CC2)C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000548623044 483592217 /nfs/dbraw/zinc/59/22/17/483592217.db2.gz ATFHRGHUZAMDMN-KBPBESRZSA-N 1 2 357.476 -1.226 20 0 FAADLO O=C(C[N@@H+]1C[C@H](O)C2(CC2)C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000548623045 483591809 /nfs/dbraw/zinc/59/18/09/483591809.db2.gz ATFHRGHUZAMDMN-KGLIPLIRSA-N 1 2 357.476 -1.226 20 0 FAADLO O=C(C[N@H+]1C[C@H](O)C2(CC2)C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000548623045 483591802 /nfs/dbraw/zinc/59/18/02/483591802.db2.gz ATFHRGHUZAMDMN-KGLIPLIRSA-N 1 2 357.476 -1.226 20 0 FAADLO O=C(C[N@@H+]1C[C@@H](O)C2(CC2)C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000548623046 483592693 /nfs/dbraw/zinc/59/26/93/483592693.db2.gz ATFHRGHUZAMDMN-UONOGXRCSA-N 1 2 357.476 -1.226 20 0 FAADLO O=C(C[N@H+]1C[C@@H](O)C2(CC2)C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000548623046 483592688 /nfs/dbraw/zinc/59/26/88/483592688.db2.gz ATFHRGHUZAMDMN-UONOGXRCSA-N 1 2 357.476 -1.226 20 0 FAADLO O=C(C[N@@H+]1C[C@@H](O)C2(CC2)C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000548623047 483592583 /nfs/dbraw/zinc/59/25/83/483592583.db2.gz ATFHRGHUZAMDMN-ZIAGYGMSSA-N 1 2 357.476 -1.226 20 0 FAADLO O=C(C[N@H+]1C[C@@H](O)C2(CC2)C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000548623047 483592579 /nfs/dbraw/zinc/59/25/79/483592579.db2.gz ATFHRGHUZAMDMN-ZIAGYGMSSA-N 1 2 357.476 -1.226 20 0 FAADLO Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1=O ZINC000548703459 483591985 /nfs/dbraw/zinc/59/19/85/483591985.db2.gz RDQUSEMPUMGVLS-CYBMUJFWSA-N 1 2 362.434 -1.199 20 0 FAADLO Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1=O ZINC000548703463 483592309 /nfs/dbraw/zinc/59/23/09/483592309.db2.gz RDQUSEMPUMGVLS-ZDUSSCGKSA-N 1 2 362.434 -1.199 20 0 FAADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CCn2ncn(C)c2=O)CC1 ZINC000549481973 483594115 /nfs/dbraw/zinc/59/41/15/483594115.db2.gz MTOXKSVLGNOFDL-GFCCVEGCSA-N 1 2 350.423 -1.217 20 0 FAADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CCn2ncn(C)c2=O)CC1 ZINC000549481974 483593546 /nfs/dbraw/zinc/59/35/46/483593546.db2.gz MTOXKSVLGNOFDL-LBPRGKRZSA-N 1 2 350.423 -1.217 20 0 FAADLO C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@H](CO)C[NH+]2CCOCC2)C1=O ZINC000549722865 483593969 /nfs/dbraw/zinc/59/39/69/483593969.db2.gz ZYXRQOCAYCJSGW-BLLLJJGKSA-N 1 2 354.407 -1.484 20 0 FAADLO C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@H](CO)C[NH+]2CCOCC2)C1=O ZINC000549722866 483593463 /nfs/dbraw/zinc/59/34/63/483593463.db2.gz ZYXRQOCAYCJSGW-LRDDRELGSA-N 1 2 354.407 -1.484 20 0 FAADLO C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H](CO)C[NH+]2CCOCC2)C1=O ZINC000549722867 483595641 /nfs/dbraw/zinc/59/56/41/483595641.db2.gz ZYXRQOCAYCJSGW-MLGOLLRUSA-N 1 2 354.407 -1.484 20 0 FAADLO C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H](CO)C[NH+]2CCOCC2)C1=O ZINC000549722868 483594636 /nfs/dbraw/zinc/59/46/36/483594636.db2.gz ZYXRQOCAYCJSGW-WBMJQRKESA-N 1 2 354.407 -1.484 20 0 FAADLO O=C(CCn1nnc2ccccc2c1=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000549727528 483595912 /nfs/dbraw/zinc/59/59/12/483595912.db2.gz ZNSGHHNSNJHJBU-CYBMUJFWSA-N 1 2 361.402 -1.009 20 0 FAADLO O=C(CCn1nnc2ccccc2c1=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000549727530 483594936 /nfs/dbraw/zinc/59/49/36/483594936.db2.gz ZNSGHHNSNJHJBU-ZDUSSCGKSA-N 1 2 361.402 -1.009 20 0 FAADLO CC(C)[C@@H](C(=O)N[C@H](CO)C[NH+]1CCOCC1)N1CCCS1(=O)=O ZINC000549727956 483595791 /nfs/dbraw/zinc/59/57/91/483595791.db2.gz GSIVXEZBQWBGIQ-KBPBESRZSA-N 1 2 363.480 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COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)[C@@H](C)C1 ZINC000562088773 482693266 /nfs/dbraw/zinc/69/32/66/482693266.db2.gz HYWJQLDQTRIJJQ-QWHCGFSZSA-N 1 2 368.434 -1.181 20 0 FAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)[C@@H](C)C1 ZINC000562088774 482694237 /nfs/dbraw/zinc/69/42/37/482694237.db2.gz HYWJQLDQTRIJJQ-STQMWFEESA-N 1 2 368.434 -1.181 20 0 FAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)[C@@H](C)C1 ZINC000562088774 482694233 /nfs/dbraw/zinc/69/42/33/482694233.db2.gz HYWJQLDQTRIJJQ-STQMWFEESA-N 1 2 368.434 -1.181 20 0 FAADLO CN(C)C(=O)NCC[N@@H+](C)CC(=O)NCCCN(C)S(C)(=O)=O ZINC000562112564 482695819 /nfs/dbraw/zinc/69/58/19/482695819.db2.gz VPBQWXRQTQZVGT-UHFFFAOYSA-N 1 2 351.473 -1.413 20 0 FAADLO CN(C)C(=O)NCC[N@H+](C)CC(=O)NCCCN(C)S(C)(=O)=O ZINC000562112564 482695813 /nfs/dbraw/zinc/69/58/13/482695813.db2.gz VPBQWXRQTQZVGT-UHFFFAOYSA-N 1 2 351.473 -1.413 20 0 FAADLO O=C(NC[C@@H]1CCCS1(=O)=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000562319095 482697520 /nfs/dbraw/zinc/69/75/20/482697520.db2.gz XFLPAPQWVMCQRQ-KBPBESRZSA-N 1 2 373.475 -1.140 20 0 FAADLO O=C(NC[C@@H]1CCCS1(=O)=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000562319096 482697541 /nfs/dbraw/zinc/69/75/41/482697541.db2.gz XFLPAPQWVMCQRQ-KGLIPLIRSA-N 1 2 373.475 -1.140 20 0 FAADLO O=C(NC[C@H]1CCCS1(=O)=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000562319097 482697290 /nfs/dbraw/zinc/69/72/90/482697290.db2.gz XFLPAPQWVMCQRQ-UONOGXRCSA-N 1 2 373.475 -1.140 20 0 FAADLO O=C(NC[C@H]1CCCS1(=O)=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000562319098 482698525 /nfs/dbraw/zinc/69/85/25/482698525.db2.gz XFLPAPQWVMCQRQ-ZIAGYGMSSA-N 1 2 373.475 -1.140 20 0 FAADLO CN(C)C(=O)[C@@H]1CN(C(=O)Cn2ccnc2)CCN1C(=O)Cn1cc[nH+]c1 ZINC000562344701 482697182 /nfs/dbraw/zinc/69/71/82/482697182.db2.gz HEGHNZYLFGKSLC-AWEZNQCLSA-N 1 2 373.417 -1.093 20 0 FAADLO CN(C)C(=O)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCN1C(=O)Cn1ccnc1 ZINC000562344701 482697176 /nfs/dbraw/zinc/69/71/76/482697176.db2.gz HEGHNZYLFGKSLC-AWEZNQCLSA-N 1 2 373.417 -1.093 20 0 FAADLO CN(C)C(=O)[C@H]1CN(C(=O)Cn2ccnc2)CCN1C(=O)Cn1cc[nH+]c1 ZINC000562344702 482698375 /nfs/dbraw/zinc/69/83/75/482698375.db2.gz HEGHNZYLFGKSLC-CQSZACIVSA-N 1 2 373.417 -1.093 20 0 FAADLO CN(C)C(=O)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCN1C(=O)Cn1ccnc1 ZINC000562344702 482698369 /nfs/dbraw/zinc/69/83/69/482698369.db2.gz HEGHNZYLFGKSLC-CQSZACIVSA-N 1 2 373.417 -1.093 20 0 FAADLO Cn1cc(S(=O)(=O)NCC(=O)NCC2([NH+]3CCOCC3)CC2)cn1 ZINC000562423338 482697259 /nfs/dbraw/zinc/69/72/59/482697259.db2.gz AIANTTXJHYDSQT-UHFFFAOYSA-N 1 2 357.436 -1.321 20 0 FAADLO CC[N@@H+](CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C1COC1 ZINC000562712624 482699471 /nfs/dbraw/zinc/69/94/71/482699471.db2.gz XKDSEXGHKBDVSP-UHFFFAOYSA-N 1 2 354.451 -1.290 20 0 FAADLO CC[N@H+](CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C1COC1 ZINC000562712624 482699460 /nfs/dbraw/zinc/69/94/60/482699460.db2.gz XKDSEXGHKBDVSP-UHFFFAOYSA-N 1 2 354.451 -1.290 20 0 FAADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc(N)cn3)CC2)CC1 ZINC000563057414 482777984 /nfs/dbraw/zinc/77/79/84/482777984.db2.gz YBRRKAWKLNHZGB-UHFFFAOYSA-N 1 2 368.463 -1.086 20 0 FAADLO CS(=O)(=O)Nc1nc2c(s1)CN(C(=O)CN1CC[NH2+]CC1=O)CC2 ZINC000563094687 482884888 /nfs/dbraw/zinc/88/48/88/482884888.db2.gz JKHQRYFZICMDKG-UHFFFAOYSA-N 1 2 373.460 -1.169 20 0 FAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCN(C)C(=O)C2)[C@H](C)C1 ZINC000563162101 482905791 /nfs/dbraw/zinc/90/57/91/482905791.db2.gz YPTIIRYSWPUUQL-GFCCVEGCSA-N 1 2 354.407 -1.617 20 0 FAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCN(C)C(=O)C2)[C@H](C)C1 ZINC000563162101 482905786 /nfs/dbraw/zinc/90/57/86/482905786.db2.gz YPTIIRYSWPUUQL-GFCCVEGCSA-N 1 2 354.407 -1.617 20 0 FAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCN(C)C(=O)C2)[C@@H](C)C1 ZINC000563162102 482906577 /nfs/dbraw/zinc/90/65/77/482906577.db2.gz YPTIIRYSWPUUQL-LBPRGKRZSA-N 1 2 354.407 -1.617 20 0 FAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCN(C)C(=O)C2)[C@@H](C)C1 ZINC000563162102 482906571 /nfs/dbraw/zinc/90/65/71/482906571.db2.gz YPTIIRYSWPUUQL-LBPRGKRZSA-N 1 2 354.407 -1.617 20 0 FAADLO CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000563240934 482916815 /nfs/dbraw/zinc/91/68/15/482916815.db2.gz RWYOSVMUHKWDRH-CYBMUJFWSA-N 1 2 363.484 -1.111 20 0 FAADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)NCCN2CCCC2=O)CC1 ZINC000563349280 482933625 /nfs/dbraw/zinc/93/36/25/482933625.db2.gz GYQPRIFNFQYAIH-UHFFFAOYSA-N 1 2 370.450 -1.469 20 0 FAADLO Cn1ncc2c1nc(N)[nH+]c2N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000563416135 483781427 /nfs/dbraw/zinc/78/14/27/483781427.db2.gz IBEIPDKSNRBSML-UHFFFAOYSA-N 1 2 360.422 -1.074 20 0 FAADLO Cn1ncc2c1nc(N)nc2N1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000563421458 483781528 /nfs/dbraw/zinc/78/15/28/483781528.db2.gz VNOPPIJTSMWBIS-UHFFFAOYSA-N 1 2 360.422 -1.074 20 0 FAADLO CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000563446217 483779034 /nfs/dbraw/zinc/77/90/34/483779034.db2.gz PJEFESROFGQHFG-UHFFFAOYSA-N 1 2 350.408 -0.849 20 0 FAADLO CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000563446217 483779031 /nfs/dbraw/zinc/77/90/31/483779031.db2.gz PJEFESROFGQHFG-UHFFFAOYSA-N 1 2 350.408 -0.849 20 0 FAADLO CC(C)Nc1nc(NCCO)nc(N(C)CC(=O)N2CCOCC2)[nH+]1 ZINC000563480580 482944608 /nfs/dbraw/zinc/94/46/08/482944608.db2.gz DUWFXHNSBVBBBT-UHFFFAOYSA-N 1 2 353.427 -1.765 20 0 FAADLO CC(C)Nc1nc(NCCO)[nH+]c(N(C)CC(=O)N2CCOCC2)n1 ZINC000563480580 482944602 /nfs/dbraw/zinc/94/46/02/482944602.db2.gz DUWFXHNSBVBBBT-UHFFFAOYSA-N 1 2 353.427 -1.765 20 0 FAADLO CC(C)Nc1nc(N(C)CC(=O)N2CCOCC2)nc(NCCO)[nH+]1 ZINC000563480580 482944589 /nfs/dbraw/zinc/94/45/89/482944589.db2.gz DUWFXHNSBVBBBT-UHFFFAOYSA-N 1 2 353.427 -1.765 20 0 FAADLO COCCCNC(=O)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000563502013 482945841 /nfs/dbraw/zinc/94/58/41/482945841.db2.gz AJCUUNIAKPTVNM-UHFFFAOYSA-N 1 2 350.423 -1.133 20 0 FAADLO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000563604806 482948320 /nfs/dbraw/zinc/94/83/20/482948320.db2.gz UYIBTDZWYIPUDN-CYBMUJFWSA-N 1 2 358.464 -1.167 20 0 FAADLO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000563604807 482948579 /nfs/dbraw/zinc/94/85/79/482948579.db2.gz UYIBTDZWYIPUDN-ZDUSSCGKSA-N 1 2 358.464 -1.167 20 0 FAADLO CC[C@@H]1C(=O)NCCN1c1nc(NC)nc(N2CCNC(=O)[C@H]2CC)[nH+]1 ZINC000563791334 483125776 /nfs/dbraw/zinc/12/57/76/483125776.db2.gz TYPXZHMTWHJUBM-GHMZBOCLSA-N 1 2 362.438 -1.235 20 0 FAADLO CC[C@@H]1C(=O)NCCN1c1nc(NC)[nH+]c(N2CCNC(=O)[C@H]2CC)n1 ZINC000563791334 483125766 /nfs/dbraw/zinc/12/57/66/483125766.db2.gz TYPXZHMTWHJUBM-GHMZBOCLSA-N 1 2 362.438 -1.235 20 0 FAADLO CC[C@@H]1C(=O)NCCN1c1nc(N2CCNC(=O)[C@@H]2CC)nc(NC)[nH+]1 ZINC000563791344 483126141 /nfs/dbraw/zinc/12/61/41/483126141.db2.gz TYPXZHMTWHJUBM-PHIMTYICSA-N 1 2 362.438 -1.235 20 0 FAADLO CC[C@@H]1C(=O)NCCN1c1nc(NC)[nH+]c(N2CCNC(=O)[C@@H]2CC)n1 ZINC000563791344 483126138 /nfs/dbraw/zinc/12/61/38/483126138.db2.gz TYPXZHMTWHJUBM-PHIMTYICSA-N 1 2 362.438 -1.235 20 0 FAADLO CC[C@H]1C(=O)NCCN1c1nc(NC)nc(N2CCNC(=O)[C@@H]2CC)[nH+]1 ZINC000563791345 483125893 /nfs/dbraw/zinc/12/58/93/483125893.db2.gz TYPXZHMTWHJUBM-QWRGUYRKSA-N 1 2 362.438 -1.235 20 0 FAADLO CC[C@H]1C(=O)NCCN1c1nc(NC)[nH+]c(N2CCNC(=O)[C@@H]2CC)n1 ZINC000563791345 483125881 /nfs/dbraw/zinc/12/58/81/483125881.db2.gz TYPXZHMTWHJUBM-QWRGUYRKSA-N 1 2 362.438 -1.235 20 0 FAADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N1CCCOCC1 ZINC000563800319 483126152 /nfs/dbraw/zinc/12/61/52/483126152.db2.gz QOYLZRCRHIYUEF-UHFFFAOYSA-N 1 2 362.434 -1.036 20 0 FAADLO CC1(C(N)=O)CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000563884018 483128823 /nfs/dbraw/zinc/12/88/23/483128823.db2.gz ISOBTZFGCYBSBU-UHFFFAOYSA-N 1 2 364.406 -1.512 20 0 FAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC000563905024 483780696 /nfs/dbraw/zinc/78/06/96/483780696.db2.gz DQVIXSXCWOAXFC-LLVKDONJSA-N 1 2 351.411 -1.259 20 0 FAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC000563905025 483779365 /nfs/dbraw/zinc/77/93/65/483779365.db2.gz DQVIXSXCWOAXFC-NSHDSACASA-N 1 2 351.411 -1.259 20 0 FAADLO CNC(=O)CN(C)S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000563975348 483195736 /nfs/dbraw/zinc/19/57/36/483195736.db2.gz ICIHBDJITXITDI-UHFFFAOYSA-N 1 2 353.426 -1.451 20 0 FAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)NCCNC(=O)c1cnccn1 ZINC000563984995 483195555 /nfs/dbraw/zinc/19/55/55/483195555.db2.gz SRMAMPPKHFQUQQ-GFCCVEGCSA-N 1 2 364.406 -1.841 20 0 FAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCCNC(=O)c1cnccn1 ZINC000563984995 483195553 /nfs/dbraw/zinc/19/55/53/483195553.db2.gz SRMAMPPKHFQUQQ-GFCCVEGCSA-N 1 2 364.406 -1.841 20 0 FAADLO C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)NCCNC(=O)c1cnccn1 ZINC000563984996 483195449 /nfs/dbraw/zinc/19/54/49/483195449.db2.gz SRMAMPPKHFQUQQ-LBPRGKRZSA-N 1 2 364.406 -1.841 20 0 FAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCCNC(=O)c1cnccn1 ZINC000563984996 483195442 /nfs/dbraw/zinc/19/54/42/483195442.db2.gz SRMAMPPKHFQUQQ-LBPRGKRZSA-N 1 2 364.406 -1.841 20 0 FAADLO COCCn1cc(CNC(=O)C(=O)NCC[N@H+]2CCOC[C@H]2C)cn1 ZINC000564164812 483527849 /nfs/dbraw/zinc/52/78/49/483527849.db2.gz HJPRASQJJIYQAB-CYBMUJFWSA-N 1 2 353.423 -1.017 20 0 FAADLO COCCn1cc(CNC(=O)C(=O)NCC[N@@H+]2CCOC[C@H]2C)cn1 ZINC000564164812 483527844 /nfs/dbraw/zinc/52/78/44/483527844.db2.gz HJPRASQJJIYQAB-CYBMUJFWSA-N 1 2 353.423 -1.017 20 0 FAADLO COCCn1cc(CNC(=O)C(=O)NCC[N@H+]2CCOC[C@@H]2C)cn1 ZINC000564164825 483528114 /nfs/dbraw/zinc/52/81/14/483528114.db2.gz HJPRASQJJIYQAB-ZDUSSCGKSA-N 1 2 353.423 -1.017 20 0 FAADLO COCCn1cc(CNC(=O)C(=O)NCC[N@@H+]2CCOC[C@@H]2C)cn1 ZINC000564164825 483528106 /nfs/dbraw/zinc/52/81/06/483528106.db2.gz HJPRASQJJIYQAB-ZDUSSCGKSA-N 1 2 353.423 -1.017 20 0 FAADLO C[C@@H](C[S@@](C)=O)NC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000564198895 483550134 /nfs/dbraw/zinc/55/01/34/483550134.db2.gz DWEANGBRMOYUHM-FNODVLLQSA-N 1 2 360.480 -1.508 20 0 FAADLO C[C@@H](C[S@](C)=O)NC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000564198896 483550563 /nfs/dbraw/zinc/55/05/63/483550563.db2.gz DWEANGBRMOYUHM-MCFWBGNESA-N 1 2 360.480 -1.508 20 0 FAADLO C[C@H](C[S@@](C)=O)NC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000564198897 483551158 /nfs/dbraw/zinc/55/11/58/483551158.db2.gz DWEANGBRMOYUHM-OIRASMEMSA-N 1 2 360.480 -1.508 20 0 FAADLO C[C@H](C[S@](C)=O)NC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000564198898 483554442 /nfs/dbraw/zinc/55/44/42/483554442.db2.gz DWEANGBRMOYUHM-YYUOZPCZSA-N 1 2 360.480 -1.508 20 0 FAADLO C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCN(Cc3ncc[nH]3)CC2)C1 ZINC000564223682 483563154 /nfs/dbraw/zinc/56/31/54/483563154.db2.gz VCIRCUGGTZVYJU-CYBMUJFWSA-N 1 2 350.423 -1.499 20 0 FAADLO C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCN(Cc3ncc[nH]3)CC2)C1 ZINC000564223682 483563146 /nfs/dbraw/zinc/56/31/46/483563146.db2.gz VCIRCUGGTZVYJU-CYBMUJFWSA-N 1 2 350.423 -1.499 20 0 FAADLO C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCN(Cc3ncc[nH]3)CC2)C1 ZINC000564223683 483563459 /nfs/dbraw/zinc/56/34/59/483563459.db2.gz VCIRCUGGTZVYJU-ZDUSSCGKSA-N 1 2 350.423 -1.499 20 0 FAADLO C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCN(Cc3ncc[nH]3)CC2)C1 ZINC000564223683 483563453 /nfs/dbraw/zinc/56/34/53/483563453.db2.gz VCIRCUGGTZVYJU-ZDUSSCGKSA-N 1 2 350.423 -1.499 20 0 FAADLO CC[C@H](NC(=O)C(=O)N(C)CC[NH+]1CCOCC1)C(=O)N1CCOCC1 ZINC000564245055 483567772 /nfs/dbraw/zinc/56/77/72/483567772.db2.gz UEBGODGTCXHSPL-AWEZNQCLSA-N 1 2 370.450 -1.469 20 0 FAADLO CC[C@@H](NC(=O)C(=O)N(C)CC[NH+]1CCOCC1)C(=O)N1CCOCC1 ZINC000564245063 483567818 /nfs/dbraw/zinc/56/78/18/483567818.db2.gz UEBGODGTCXHSPL-CQSZACIVSA-N 1 2 370.450 -1.469 20 0 FAADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCO[C@H]2C2CC2)CCO1 ZINC000564265735 483575248 /nfs/dbraw/zinc/57/52/48/483575248.db2.gz TZSYLZBRVXDBBB-IPYPFGDCSA-N 1 2 368.434 -1.685 20 0 FAADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCO[C@H]2C2CC2)CCO1 ZINC000564265735 483575243 /nfs/dbraw/zinc/57/52/43/483575243.db2.gz TZSYLZBRVXDBBB-IPYPFGDCSA-N 1 2 368.434 -1.685 20 0 FAADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCO[C@H]2C2CC2)CCO1 ZINC000564265736 483574623 /nfs/dbraw/zinc/57/46/23/483574623.db2.gz TZSYLZBRVXDBBB-NFAWXSAZSA-N 1 2 368.434 -1.685 20 0 FAADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCO[C@H]2C2CC2)CCO1 ZINC000564265736 483574616 /nfs/dbraw/zinc/57/46/16/483574616.db2.gz TZSYLZBRVXDBBB-NFAWXSAZSA-N 1 2 368.434 -1.685 20 0 FAADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCO[C@@H]2C2CC2)CCO1 ZINC000564265737 483575076 /nfs/dbraw/zinc/57/50/76/483575076.db2.gz TZSYLZBRVXDBBB-UMVBOHGHSA-N 1 2 368.434 -1.685 20 0 FAADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCO[C@@H]2C2CC2)CCO1 ZINC000564265737 483575066 /nfs/dbraw/zinc/57/50/66/483575066.db2.gz TZSYLZBRVXDBBB-UMVBOHGHSA-N 1 2 368.434 -1.685 20 0 FAADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCO[C@@H]2C2CC2)CCO1 ZINC000564265738 483574874 /nfs/dbraw/zinc/57/48/74/483574874.db2.gz TZSYLZBRVXDBBB-VNHYZAJKSA-N 1 2 368.434 -1.685 20 0 FAADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCO[C@@H]2C2CC2)CCO1 ZINC000564265738 483574868 /nfs/dbraw/zinc/57/48/68/483574868.db2.gz TZSYLZBRVXDBBB-VNHYZAJKSA-N 1 2 368.434 -1.685 20 0 FAADLO CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCC2([S@@](C)=O)CC2)CC1 ZINC000564387574 483607186 /nfs/dbraw/zinc/60/71/86/483607186.db2.gz LCWBJZKODMJMQO-RUZDIDTESA-N 1 2 372.491 -1.364 20 0 FAADLO CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCC2([S@](C)=O)CC2)CC1 ZINC000564387578 483606389 /nfs/dbraw/zinc/60/63/89/483606389.db2.gz LCWBJZKODMJMQO-VWLOTQADSA-N 1 2 372.491 -1.364 20 0 FAADLO CCOC1CC(CNC(=O)CNS(=O)(=O)NC)([NH+]2CCOCC2)C1 ZINC000564580145 483633110 /nfs/dbraw/zinc/63/31/10/483633110.db2.gz PNHLOBDPNSCKLR-UHFFFAOYSA-N 1 2 364.468 -1.574 20 0 FAADLO Cn1cc[nH+]c1[C@H]1CN(C(=O)C(=O)NC[C@@H]2COCCO2)CCN1C ZINC000564717270 482688233 /nfs/dbraw/zinc/68/82/33/482688233.db2.gz ALILCTRFWTZMHM-CHWSQXEVSA-N 1 2 351.407 -1.233 20 0 FAADLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)C(=O)NC[C@@H]2COCCO2)CCN1C ZINC000564717275 482688102 /nfs/dbraw/zinc/68/81/02/482688102.db2.gz ALILCTRFWTZMHM-OLZOCXBDSA-N 1 2 351.407 -1.233 20 0 FAADLO Cn1cc[nH+]c1[C@H]1CN(C(=O)C(=O)NC[C@H]2COCCO2)CCN1C ZINC000564717278 482688040 /nfs/dbraw/zinc/68/80/40/482688040.db2.gz ALILCTRFWTZMHM-QWHCGFSZSA-N 1 2 351.407 -1.233 20 0 FAADLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)C(=O)NC[C@H]2COCCO2)CCN1C ZINC000564717282 482688250 /nfs/dbraw/zinc/68/82/50/482688250.db2.gz ALILCTRFWTZMHM-STQMWFEESA-N 1 2 351.407 -1.233 20 0 FAADLO CS(=O)(=O)N1CCN(C(=O)C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000564744029 483632912 /nfs/dbraw/zinc/63/29/12/483632912.db2.gz AGQDGAFKUYAJRJ-UHFFFAOYSA-N 1 2 357.436 -1.117 20 0 FAADLO Cn1c(N)c(C(=O)C[NH+]2CCC(N3CN=NC3=O)CC2)c(=O)n(C)c1=O ZINC000564771732 483633566 /nfs/dbraw/zinc/63/35/66/483633566.db2.gz JDOTVSCGFUJQRP-UHFFFAOYSA-N 1 2 363.378 -1.517 20 0 FAADLO CN(C)S(=O)(=O)N(C)CC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000565072838 483757799 /nfs/dbraw/zinc/75/77/99/483757799.db2.gz XJUCBGLRYCCMCF-UHFFFAOYSA-N 1 2 374.467 -1.108 20 0 FAADLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC000565096074 483779500 /nfs/dbraw/zinc/77/95/00/483779500.db2.gz FFEPORSBWLAOJV-UHFFFAOYSA-N 1 2 365.438 -0.869 20 0 FAADLO CN1CCN(C(=O)C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1=O ZINC000565156443 483195995 /nfs/dbraw/zinc/19/59/95/483195995.db2.gz LDCHDNMJXURSQJ-INIZCTEOSA-N 1 2 370.475 -1.389 20 0 FAADLO CN1CCN(C(=O)C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1=O ZINC000565156454 483195504 /nfs/dbraw/zinc/19/55/04/483195504.db2.gz LDCHDNMJXURSQJ-MRXNPFEDSA-N 1 2 370.475 -1.389 20 0 FAADLO NC(=O)[C@@]1(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCOC1 ZINC000565205777 483635940 /nfs/dbraw/zinc/63/59/40/483635940.db2.gz CXXWCQKWEGPJFF-BLLLJJGKSA-N 1 2 354.407 -2.072 20 0 FAADLO NC(=O)[C@]1(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCOC1 ZINC000565205791 483636791 /nfs/dbraw/zinc/63/67/91/483636791.db2.gz CXXWCQKWEGPJFF-LRDDRELGSA-N 1 2 354.407 -2.072 20 0 FAADLO NC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCOC1 ZINC000565205793 483636155 /nfs/dbraw/zinc/63/61/55/483636155.db2.gz CXXWCQKWEGPJFF-MLGOLLRUSA-N 1 2 354.407 -2.072 20 0 FAADLO NC(=O)[C@]1(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCOC1 ZINC000565205796 483636039 /nfs/dbraw/zinc/63/60/39/483636039.db2.gz CXXWCQKWEGPJFF-WBMJQRKESA-N 1 2 354.407 -2.072 20 0 FAADLO COc1c(N)nc[nH+]c1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000565222635 483636202 /nfs/dbraw/zinc/63/62/02/483636202.db2.gz PVXMMGRLLANXON-UHFFFAOYSA-N 1 2 350.379 -1.425 20 0 FAADLO COc1c(N)[nH+]cnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000565222635 483636197 /nfs/dbraw/zinc/63/61/97/483636197.db2.gz PVXMMGRLLANXON-UHFFFAOYSA-N 1 2 350.379 -1.425 20 0 FAADLO C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000565246090 483636179 /nfs/dbraw/zinc/63/61/79/483636179.db2.gz QDMSEYGWINRQPA-LLVKDONJSA-N 1 2 358.461 -1.558 20 0 FAADLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000565246097 483636812 /nfs/dbraw/zinc/63/68/12/483636812.db2.gz QDMSEYGWINRQPA-NSHDSACASA-N 1 2 358.461 -1.558 20 0 FAADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000565369140 483637986 /nfs/dbraw/zinc/63/79/86/483637986.db2.gz RWSAWAUWTXWUSQ-LLVKDONJSA-N 1 2 361.468 -1.389 20 0 FAADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000565369143 483638084 /nfs/dbraw/zinc/63/80/84/483638084.db2.gz RWSAWAUWTXWUSQ-NSHDSACASA-N 1 2 361.468 -1.389 20 0 FAADLO CC(C)(C)c1nc(=NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)s[nH]1 ZINC000565491000 483637275 /nfs/dbraw/zinc/63/72/75/483637275.db2.gz LXMUZLMOUQCZGL-BDAKNGLRSA-N 1 2 366.447 -1.034 20 0 FAADLO CC(C)(C)c1nc(=NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)s[nH]1 ZINC000565491016 483637300 /nfs/dbraw/zinc/63/73/00/483637300.db2.gz LXMUZLMOUQCZGL-DTWKUNHWSA-N 1 2 366.447 -1.034 20 0 FAADLO CC(C)(C)c1nc(=NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)s[nH]1 ZINC000565491017 483638157 /nfs/dbraw/zinc/63/81/57/483638157.db2.gz LXMUZLMOUQCZGL-IUCAKERBSA-N 1 2 366.447 -1.034 20 0 FAADLO CC(C)(C)c1nc(=NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)s[nH]1 ZINC000565491018 483638405 /nfs/dbraw/zinc/63/84/05/483638405.db2.gz LXMUZLMOUQCZGL-RKDXNWHRSA-N 1 2 366.447 -1.034 20 0 FAADLO CCO[C@@H]1C[C@H]1NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000565520052 483774896 /nfs/dbraw/zinc/77/48/96/483774896.db2.gz JFAKQKGSQMZQNW-CHWSQXEVSA-N 1 2 351.407 -0.553 20 0 FAADLO CCO[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000565520053 483774979 /nfs/dbraw/zinc/77/49/79/483774979.db2.gz JFAKQKGSQMZQNW-OLZOCXBDSA-N 1 2 351.407 -0.553 20 0 FAADLO CCO[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000565520054 483774907 /nfs/dbraw/zinc/77/49/07/483774907.db2.gz JFAKQKGSQMZQNW-QWHCGFSZSA-N 1 2 351.407 -0.553 20 0 FAADLO CCO[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000565520055 483775032 /nfs/dbraw/zinc/77/50/32/483775032.db2.gz JFAKQKGSQMZQNW-STQMWFEESA-N 1 2 351.407 -0.553 20 0 FAADLO CN(C)S(=O)(=O)N(C)CC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000565541118 483638199 /nfs/dbraw/zinc/63/81/99/483638199.db2.gz MIJGYYTVTLBKQT-GFCCVEGCSA-N 1 2 352.457 -2.124 20 0 FAADLO CN(C)S(=O)(=O)N(C)CC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000565541122 483638184 /nfs/dbraw/zinc/63/81/84/483638184.db2.gz MIJGYYTVTLBKQT-LBPRGKRZSA-N 1 2 352.457 -2.124 20 0 FAADLO CC(=O)N(C)CC(=O)NC[C@H]1CN(C(=O)CN(C)C(C)=O)CC[N@H+]1C ZINC000565545359 483638378 /nfs/dbraw/zinc/63/83/78/483638378.db2.gz SNFTVJHMNUMXKI-AWEZNQCLSA-N 1 2 355.439 -1.798 20 0 FAADLO CC(=O)N(C)CC(=O)NC[C@H]1CN(C(=O)CN(C)C(C)=O)CC[N@@H+]1C ZINC000565545359 483638374 /nfs/dbraw/zinc/63/83/74/483638374.db2.gz SNFTVJHMNUMXKI-AWEZNQCLSA-N 1 2 355.439 -1.798 20 0 FAADLO CC(=O)N(C)CC(=O)NC[C@@H]1CN(C(=O)CN(C)C(C)=O)CC[N@H+]1C ZINC000565545375 483637344 /nfs/dbraw/zinc/63/73/44/483637344.db2.gz SNFTVJHMNUMXKI-CQSZACIVSA-N 1 2 355.439 -1.798 20 0 FAADLO CC(=O)N(C)CC(=O)NC[C@@H]1CN(C(=O)CN(C)C(C)=O)CC[N@@H+]1C ZINC000565545375 483637339 /nfs/dbraw/zinc/63/73/39/483637339.db2.gz SNFTVJHMNUMXKI-CQSZACIVSA-N 1 2 355.439 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/nfs/dbraw/zinc/64/06/52/483640652.db2.gz XBUXLKWOCNCLKW-LBPRGKRZSA-N 1 2 354.407 -1.340 20 0 FAADLO Cn1cc[nH+]c1CNC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000566336663 483781287 /nfs/dbraw/zinc/78/12/87/483781287.db2.gz GYUNGEZZMMOKHB-UHFFFAOYSA-N 1 2 350.408 -1.181 20 0 FAADLO CC(C)Cn1c(N)c(C(=O)C[NH2+][C@@]2(C(N)=O)CCOC2)c(=O)n(C)c1=O ZINC000566419591 483644014 /nfs/dbraw/zinc/64/40/14/483644014.db2.gz VRPDDTSDUZKHNN-INIZCTEOSA-N 1 2 367.406 -1.798 20 0 FAADLO CC(C)Cn1c(N)c(C(=O)C[NH2+][C@]2(C(N)=O)CCOC2)c(=O)n(C)c1=O ZINC000566419592 483643576 /nfs/dbraw/zinc/64/35/76/483643576.db2.gz VRPDDTSDUZKHNN-MRXNPFEDSA-N 1 2 367.406 -1.798 20 0 FAADLO O=S(=O)(CCCS(=O)(=O)N[C@@H]1COC[C@H]1O)Nc1c[nH+]c[nH]1 ZINC000566486009 483643394 /nfs/dbraw/zinc/64/33/94/483643394.db2.gz AMEGQIWBBIZXNF-RKDXNWHRSA-N 1 2 354.410 -1.779 20 0 FAADLO CN1CC[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C1=O ZINC000566486015 482686411 /nfs/dbraw/zinc/68/64/11/482686411.db2.gz CFAHUOMACOAUFG-SECBINFHSA-N 1 2 365.437 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/nfs/dbraw/zinc/66/58/79/483665879.db2.gz BBCSKCDPDDECRN-SWLSCSKDSA-N 1 2 369.443 -1.102 20 0 FAADLO NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000574384166 483665877 /nfs/dbraw/zinc/66/58/77/483665877.db2.gz BBCSKCDPDDECRN-SWLSCSKDSA-N 1 2 369.443 -1.102 20 0 FAADLO NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000574384167 483666342 /nfs/dbraw/zinc/66/63/42/483666342.db2.gz BBCSKCDPDDECRN-WFASDCNBSA-N 1 2 369.443 -1.102 20 0 FAADLO NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000574384167 483666338 /nfs/dbraw/zinc/66/63/38/483666338.db2.gz BBCSKCDPDDECRN-WFASDCNBSA-N 1 2 369.443 -1.102 20 0 FAADLO CN1C(=O)CC[C@@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1=O ZINC000574445748 483666363 /nfs/dbraw/zinc/66/63/63/483666363.db2.gz FNRBLMRFUBMUPF-CHWSQXEVSA-N 1 2 366.418 -1.569 20 0 FAADLO CN1C(=O)CC[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1=O ZINC000574445749 483666190 /nfs/dbraw/zinc/66/61/90/483666190.db2.gz FNRBLMRFUBMUPF-OLZOCXBDSA-N 1 2 366.418 -1.569 20 0 FAADLO CN1C(=O)CC[C@@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1=O ZINC000574445750 483666273 /nfs/dbraw/zinc/66/62/73/483666273.db2.gz FNRBLMRFUBMUPF-QWHCGFSZSA-N 1 2 366.418 -1.569 20 0 FAADLO CN1C(=O)CC[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1=O ZINC000574445751 483666098 /nfs/dbraw/zinc/66/60/98/483666098.db2.gz FNRBLMRFUBMUPF-STQMWFEESA-N 1 2 366.418 -1.569 20 0 FAADLO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H]1CCCS1(=O)=O ZINC000574463429 483666813 /nfs/dbraw/zinc/66/68/13/483666813.db2.gz WOZFXBQJSKIFAM-CYBMUJFWSA-N 1 2 361.464 -1.187 20 0 FAADLO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H]1CCCS1(=O)=O ZINC000574463430 483666879 /nfs/dbraw/zinc/66/68/79/483666879.db2.gz WOZFXBQJSKIFAM-ZDUSSCGKSA-N 1 2 361.464 -1.187 20 0 FAADLO COC(=O)CNC(=O)CNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000574463773 483666573 /nfs/dbraw/zinc/66/65/73/483666573.db2.gz UTMHZVRNWVJTDA-UHFFFAOYSA-N 1 2 350.375 -1.067 20 0 FAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC000574695780 483780993 /nfs/dbraw/zinc/78/09/93/483780993.db2.gz AYEZKRJQGCVMNP-LLVKDONJSA-N 1 2 351.411 -1.259 20 0 FAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC000574695780 483780991 /nfs/dbraw/zinc/78/09/91/483780991.db2.gz AYEZKRJQGCVMNP-LLVKDONJSA-N 1 2 351.411 -1.259 20 0 FAADLO C[C@H]1COCC[N@H+]1CCNC(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC000574695784 483780751 /nfs/dbraw/zinc/78/07/51/483780751.db2.gz AYEZKRJQGCVMNP-NSHDSACASA-N 1 2 351.411 -1.259 20 0 FAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC000574695784 483780750 /nfs/dbraw/zinc/78/07/50/483780750.db2.gz AYEZKRJQGCVMNP-NSHDSACASA-N 1 2 351.411 -1.259 20 0 FAADLO Nc1nc(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)nc(N2CCOCC2)n1 ZINC000574697323 483782059 /nfs/dbraw/zinc/78/20/59/483782059.db2.gz OMYASWRCMADZBM-TXEJJXNPSA-N 1 2 363.422 -1.117 20 0 FAADLO Nc1nc(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)nc(N2CCOCC2)n1 ZINC000574697323 483782057 /nfs/dbraw/zinc/78/20/57/483782057.db2.gz OMYASWRCMADZBM-TXEJJXNPSA-N 1 2 363.422 -1.117 20 0 FAADLO Cn1c[nH+]cc1CNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000574804839 483667566 /nfs/dbraw/zinc/66/75/66/483667566.db2.gz WHQGGVMRJVZQEG-UHFFFAOYSA-N 1 2 372.451 -1.176 20 0 FAADLO CS(=O)(=O)c1nccc(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)n1 ZINC000574821132 483667543 /nfs/dbraw/zinc/66/75/43/483667543.db2.gz YITQDKWGEGYVRM-LLVKDONJSA-N 1 2 355.420 -1.050 20 0 FAADLO CS(=O)(=O)c1nccc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)n1 ZINC000574821132 483667541 /nfs/dbraw/zinc/66/75/41/483667541.db2.gz YITQDKWGEGYVRM-LLVKDONJSA-N 1 2 355.420 -1.050 20 0 FAADLO CS(=O)(=O)c1nccc(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)n1 ZINC000574821133 483667229 /nfs/dbraw/zinc/66/72/29/483667229.db2.gz YITQDKWGEGYVRM-NSHDSACASA-N 1 2 355.420 -1.050 20 0 FAADLO CS(=O)(=O)c1nccc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)n1 ZINC000574821133 483667225 /nfs/dbraw/zinc/66/72/25/483667225.db2.gz YITQDKWGEGYVRM-NSHDSACASA-N 1 2 355.420 -1.050 20 0 FAADLO COC[C@](C)(O)C(=O)NC[C@@H]1CN(C(=O)[C@@](C)(O)COC)CC[N@H+]1C ZINC000574922431 482730858 /nfs/dbraw/zinc/73/08/58/482730858.db2.gz SXESNADGAGPOLT-KCXAZCMYSA-N 1 2 361.439 -1.960 20 0 FAADLO COC[C@](C)(O)C(=O)NC[C@@H]1CN(C(=O)[C@@](C)(O)COC)CC[N@@H+]1C ZINC000574922431 482730852 /nfs/dbraw/zinc/73/08/52/482730852.db2.gz SXESNADGAGPOLT-KCXAZCMYSA-N 1 2 361.439 -1.960 20 0 FAADLO COC[C@](C)(O)C(=O)NC[C@H]1CN(C(=O)[C@@](C)(O)COC)CC[N@H+]1C ZINC000574922432 482731163 /nfs/dbraw/zinc/73/11/63/482731163.db2.gz SXESNADGAGPOLT-RCBQFDQVSA-N 1 2 361.439 -1.960 20 0 FAADLO COC[C@](C)(O)C(=O)NC[C@H]1CN(C(=O)[C@@](C)(O)COC)CC[N@@H+]1C ZINC000574922432 482731161 /nfs/dbraw/zinc/73/11/61/482731161.db2.gz SXESNADGAGPOLT-RCBQFDQVSA-N 1 2 361.439 -1.960 20 0 FAADLO COC[C@@](C)(O)C(=O)N1CC[N@@H+](C)[C@H](CNC(=O)[C@@](C)(O)COC)C1 ZINC000574922433 482731406 /nfs/dbraw/zinc/73/14/06/482731406.db2.gz SXESNADGAGPOLT-UHOFOFEASA-N 1 2 361.439 -1.960 20 0 FAADLO COC[C@@](C)(O)C(=O)N1CC[N@H+](C)[C@H](CNC(=O)[C@@](C)(O)COC)C1 ZINC000574922433 482731401 /nfs/dbraw/zinc/73/14/01/482731401.db2.gz SXESNADGAGPOLT-UHOFOFEASA-N 1 2 361.439 -1.960 20 0 FAADLO COC[C@@](C)(O)C(=O)N1CC[N@@H+](C)[C@@H](CNC(=O)[C@@](C)(O)COC)C1 ZINC000574922434 482731295 /nfs/dbraw/zinc/73/12/95/482731295.db2.gz SXESNADGAGPOLT-VBNZEHGJSA-N 1 2 361.439 -1.960 20 0 FAADLO COC[C@@](C)(O)C(=O)N1CC[N@H+](C)[C@@H](CNC(=O)[C@@](C)(O)COC)C1 ZINC000574922434 482731293 /nfs/dbraw/zinc/73/12/93/482731293.db2.gz SXESNADGAGPOLT-VBNZEHGJSA-N 1 2 361.439 -1.960 20 0 FAADLO O=C(CNS(=O)(=O)c1ccccc1)NCCC[N@H+]1CCNC(=O)C1 ZINC000575034000 483668469 /nfs/dbraw/zinc/66/84/69/483668469.db2.gz PTFWQMGKKIATKR-UHFFFAOYSA-N 1 2 354.432 -1.097 20 0 FAADLO O=C(CNS(=O)(=O)c1ccccc1)NCCC[N@@H+]1CCNC(=O)C1 ZINC000575034000 483668463 /nfs/dbraw/zinc/66/84/63/483668463.db2.gz PTFWQMGKKIATKR-UHFFFAOYSA-N 1 2 354.432 -1.097 20 0 FAADLO CC(=O)NC1CN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C1 ZINC000575073067 483383863 /nfs/dbraw/zinc/38/38/63/483383863.db2.gz PVQKQRNPYPQQEW-UHFFFAOYSA-N 1 2 365.437 -1.308 20 0 FAADLO O=C(CNC(=O)c1cncc(-n2ccnn2)c1)NCC[NH+]1CCOCC1 ZINC000575075028 483668078 /nfs/dbraw/zinc/66/80/78/483668078.db2.gz UERHKTZAABFWBV-UHFFFAOYSA-N 1 2 359.390 -1.160 20 0 FAADLO CN1CCO[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]3C[NH+]3CCOCC3)C[C@@H]21 ZINC000575148259 483668370 /nfs/dbraw/zinc/66/83/70/483668370.db2.gz YHVVOCQEISIIEZ-HRCADAONSA-N 1 2 366.462 -1.149 20 0 FAADLO CC(=O)NCCN(C)C(=O)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000575179831 483668345 /nfs/dbraw/zinc/66/83/45/483668345.db2.gz UWHURGLJYMMKDH-INIZCTEOSA-N 1 2 372.491 -1.095 20 0 FAADLO CC(=O)NCCN(C)C(=O)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000575179832 483668366 /nfs/dbraw/zinc/66/83/66/483668366.db2.gz UWHURGLJYMMKDH-MRXNPFEDSA-N 1 2 372.491 -1.095 20 0 FAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)NCCNC(=O)c1cccnc1 ZINC000575324443 483668329 /nfs/dbraw/zinc/66/83/29/483668329.db2.gz IZAJJMJBSKWGLX-CYBMUJFWSA-N 1 2 363.418 -1.236 20 0 FAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCCNC(=O)c1cccnc1 ZINC000575324443 483668328 /nfs/dbraw/zinc/66/83/28/483668328.db2.gz IZAJJMJBSKWGLX-CYBMUJFWSA-N 1 2 363.418 -1.236 20 0 FAADLO C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)NCCNC(=O)c1cccnc1 ZINC000575324444 483668434 /nfs/dbraw/zinc/66/84/34/483668434.db2.gz IZAJJMJBSKWGLX-ZDUSSCGKSA-N 1 2 363.418 -1.236 20 0 FAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCCNC(=O)c1cccnc1 ZINC000575324444 483668430 /nfs/dbraw/zinc/66/84/30/483668430.db2.gz IZAJJMJBSKWGLX-ZDUSSCGKSA-N 1 2 363.418 -1.236 20 0 FAADLO COC(=O)CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCc2nnnn2CC1 ZINC000575873008 483668872 /nfs/dbraw/zinc/66/88/72/483668872.db2.gz FBBKFLKMGYMNGV-CYBMUJFWSA-N 1 2 366.422 -1.041 20 0 FAADLO COC(=O)CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCc2nnnn2CC1 ZINC000575873009 483669033 /nfs/dbraw/zinc/66/90/33/483669033.db2.gz FBBKFLKMGYMNGV-ZDUSSCGKSA-N 1 2 366.422 -1.041 20 0 FAADLO COCCn1c(N)c(C(=O)CN2CC[NH+](CCOC)CC2)c(=O)[nH]c1=O ZINC000575890871 483668991 /nfs/dbraw/zinc/66/89/91/483668991.db2.gz BRHFDTMJHYXMGY-UHFFFAOYSA-N 1 2 369.422 -1.376 20 0 FAADLO COC(=O)[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)OC ZINC000575906163 483669037 /nfs/dbraw/zinc/66/90/37/483669037.db2.gz QWSHKOOBGLSULR-CHWSQXEVSA-N 1 2 357.407 -1.529 20 0 FAADLO COC(=O)[C@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)OC ZINC000575906164 483668951 /nfs/dbraw/zinc/66/89/51/483668951.db2.gz QWSHKOOBGLSULR-OLZOCXBDSA-N 1 2 357.407 -1.529 20 0 FAADLO COC(=O)[C@@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)OC ZINC000575906165 483668897 /nfs/dbraw/zinc/66/88/97/483668897.db2.gz QWSHKOOBGLSULR-QWHCGFSZSA-N 1 2 357.407 -1.529 20 0 FAADLO COC(=O)[C@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)OC ZINC000575906166 483668809 /nfs/dbraw/zinc/66/88/09/483668809.db2.gz QWSHKOOBGLSULR-STQMWFEESA-N 1 2 357.407 -1.529 20 0 FAADLO CN1CCN(C(=O)C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CC1=O ZINC000576169192 483669496 /nfs/dbraw/zinc/66/94/96/483669496.db2.gz BAXNRPBHVFCODD-UHFFFAOYSA-N 1 2 361.402 -1.165 20 0 FAADLO CC[C@H](NC(=O)C(=O)N1CC[NH+](CCOC)CC1)C(=O)N1CCOCC1 ZINC000576255770 483669600 /nfs/dbraw/zinc/66/96/00/483669600.db2.gz AQVMIJQPKPEWJJ-AWEZNQCLSA-N 1 2 370.450 -1.469 20 0 FAADLO CC[C@@H](NC(=O)C(=O)N1CC[NH+](CCOC)CC1)C(=O)N1CCOCC1 ZINC000576255771 483669826 /nfs/dbraw/zinc/66/98/26/483669826.db2.gz AQVMIJQPKPEWJJ-CQSZACIVSA-N 1 2 370.450 -1.469 20 0 FAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000576332320 483670478 /nfs/dbraw/zinc/67/04/78/483670478.db2.gz TUWDMCBJWWQWPL-GFCCVEGCSA-N 1 2 362.452 -2.073 20 0 FAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000576332322 483670524 /nfs/dbraw/zinc/67/05/24/483670524.db2.gz TUWDMCBJWWQWPL-LBPRGKRZSA-N 1 2 362.452 -2.073 20 0 FAADLO CC(=O)N1CCN(C(=O)CCNC(=O)C[N@H+](C)CC(=O)NC(C)C)CC1 ZINC000576570926 483670183 /nfs/dbraw/zinc/67/01/83/483670183.db2.gz KADMKHNTYQKXDK-UHFFFAOYSA-N 1 2 369.466 -1.360 20 0 FAADLO CC(=O)N1CCN(C(=O)CCNC(=O)C[N@@H+](C)CC(=O)NC(C)C)CC1 ZINC000576570926 483670180 /nfs/dbraw/zinc/67/01/80/483670180.db2.gz KADMKHNTYQKXDK-UHFFFAOYSA-N 1 2 369.466 -1.360 20 0 FAADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)C3CC(C)(O)C3)CC2)CC1 ZINC000576697210 483671017 /nfs/dbraw/zinc/67/10/17/483671017.db2.gz SUWVUAVWWPQJTE-UHFFFAOYSA-N 1 2 360.480 -1.216 20 0 FAADLO O=C(CC[NH+]1CCN(c2ccccn2)CC1)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000576715724 483671090 /nfs/dbraw/zinc/67/10/90/483671090.db2.gz NPYCATBFNFKXTA-ZIAGYGMSSA-N 1 2 368.459 -1.132 20 0 FAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCN2CCCC2=O)[C@H](C)C1 ZINC000576764880 483671460 /nfs/dbraw/zinc/67/14/60/483671460.db2.gz CSJVOBGKDOFCQV-CYBMUJFWSA-N 1 2 368.434 -1.179 20 0 FAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCN2CCCC2=O)[C@H](C)C1 ZINC000576764880 483671458 /nfs/dbraw/zinc/67/14/58/483671458.db2.gz CSJVOBGKDOFCQV-CYBMUJFWSA-N 1 2 368.434 -1.179 20 0 FAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCN2CCCC2=O)[C@@H](C)C1 ZINC000576764881 483671350 /nfs/dbraw/zinc/67/13/50/483671350.db2.gz CSJVOBGKDOFCQV-ZDUSSCGKSA-N 1 2 368.434 -1.179 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CS(=O)(=O)N1CC[C@@H](NC(=O)N(CCO)CC[NH+]2CCOCC2)C1 ZINC000651240584 482768690 /nfs/dbraw/zinc/76/86/90/482768690.db2.gz TYVNBZSBFUSAJW-CYBMUJFWSA-N 1 2 364.468 -1.644 20 0 FAADLO CS(=O)(=O)N1CC[C@H](NC(=O)N(CCO)CC[NH+]2CCOCC2)C1 ZINC000651240585 482767905 /nfs/dbraw/zinc/76/79/05/482767905.db2.gz TYVNBZSBFUSAJW-ZDUSSCGKSA-N 1 2 364.468 -1.644 20 0 FAADLO O=C(CNC(=O)Cn1nc2n(c1=O)CCCC2)NCC[NH+]1CCOCC1 ZINC000651307196 482769833 /nfs/dbraw/zinc/76/98/33/482769833.db2.gz LETWTRCXXIVDCR-UHFFFAOYSA-N 1 2 366.422 -2.054 20 0 FAADLO O=C(CNC(=O)C1(n2cnnn2)CCCCC1)NCC[NH+]1CCOCC1 ZINC000651307288 482770513 /nfs/dbraw/zinc/77/05/13/482770513.db2.gz RTEPTOVQIVKDRV-UHFFFAOYSA-N 1 2 365.438 -1.103 20 0 FAADLO O=C(C[N@H+]1CCCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1)N1CCCC1 ZINC000651329655 482770676 /nfs/dbraw/zinc/77/06/76/482770676.db2.gz DGHIVPFNOAUMLN-CYBMUJFWSA-N 1 2 358.464 -1.165 20 0 FAADLO O=C(C[N@@H+]1CCCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1)N1CCCC1 ZINC000651329655 482770671 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360.436 -2.273 20 0 FAADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCS(=O)(=O)N1 ZINC000651352279 482772253 /nfs/dbraw/zinc/77/22/53/482772253.db2.gz ORDLIEARJMEGDK-VXGBXAGGSA-N 1 2 360.436 -2.273 20 0 FAADLO O=C(Cn1nc2n(c1=O)CCCC2)N1CC[NH+](CCn2cncn2)CC1 ZINC000651376613 482772030 /nfs/dbraw/zinc/77/20/30/482772030.db2.gz LKDLZHFFLRFCHI-UHFFFAOYSA-N 1 2 360.422 -1.183 20 0 FAADLO CC(C)Nc1nc(NCCO)nc(NCc2ncc3c(n2)CCOC3)[nH+]1 ZINC000651389742 482774708 /nfs/dbraw/zinc/77/47/08/482774708.db2.gz AXOYTBFJZNBFNF-UHFFFAOYSA-N 1 2 360.422 -1.163 20 0 FAADLO CC(C)Nc1nc(NCCO)[nH+]c(NCc2ncc3c(n2)CCOC3)n1 ZINC000651389742 482774703 /nfs/dbraw/zinc/77/47/03/482774703.db2.gz AXOYTBFJZNBFNF-UHFFFAOYSA-N 1 2 360.422 -1.163 20 0 FAADLO CC(C)Nc1nc(NCc2ncc3c(n2)CCOC3)nc(NCCO)[nH+]1 ZINC000651389742 482774688 /nfs/dbraw/zinc/77/46/88/482774688.db2.gz AXOYTBFJZNBFNF-UHFFFAOYSA-N 1 2 360.422 -1.163 20 0 FAADLO CC(C)Nc1nc(NCCO)nc(N[C@H]2CCN(S(C)(=O)=O)C2)[nH+]1 ZINC000651400994 482774618 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CNc1nc(N2C[C@H](O)C[C@H]2COC)[nH+]c(N2C[C@H](O)C[C@H]2COC)n1 ZINC000651409218 482775555 /nfs/dbraw/zinc/77/55/55/482775555.db2.gz FGNCHJQRRNXOOS-WUHRBBMRSA-N 1 2 368.438 -1.493 20 0 FAADLO CNc1nc(N2C[C@H](O)C[C@H]2COC)nc(N2C[C@H](O)C[C@H]2COC)[nH+]1 ZINC000651409218 482775546 /nfs/dbraw/zinc/77/55/46/482775546.db2.gz FGNCHJQRRNXOOS-WUHRBBMRSA-N 1 2 368.438 -1.493 20 0 FAADLO CNc1nc(NCC[C@]2(O)CCOC2)nc(NCC[C@@]2(O)CCOC2)[nH+]1 ZINC000651413760 482775726 /nfs/dbraw/zinc/77/57/26/482775726.db2.gz LOTZLMNMUXIBJY-IYBDPMFKSA-N 1 2 368.438 -1.914 20 0 FAADLO CNc1nc(NCC[C@@]2(O)CCOC2)nc(NCC[C@]2(O)CCOC2)[nH+]1 ZINC000651413760 482775720 /nfs/dbraw/zinc/77/57/20/482775720.db2.gz LOTZLMNMUXIBJY-IYBDPMFKSA-N 1 2 368.438 -1.914 20 0 FAADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)CC1 ZINC000651414443 482775814 /nfs/dbraw/zinc/77/58/14/482775814.db2.gz HHMHFLYQSSQQLB-UHFFFAOYSA-N 1 2 350.423 -1.211 20 0 FAADLO CNc1nc(N2C[C@H](O)C[C@@H]2COC)[nH+]c(N2C[C@H](O)C[C@@H]2COC)n1 ZINC000651417810 482776402 /nfs/dbraw/zinc/77/64/02/482776402.db2.gz FGNCHJQRRNXOOS-FDYHWXHSSA-N 1 2 368.438 -1.493 20 0 FAADLO CNc1nc(N2C[C@H](O)C[C@@H]2COC)nc(N2C[C@H](O)C[C@@H]2COC)[nH+]1 ZINC000651417810 482776395 /nfs/dbraw/zinc/77/63/95/482776395.db2.gz FGNCHJQRRNXOOS-FDYHWXHSSA-N 1 2 368.438 -1.493 20 0 FAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Cn1nc2n(c1=O)CCCC2 ZINC000651462875 482782720 /nfs/dbraw/zinc/78/27/20/482782720.db2.gz DJKROSCCNHLOTI-CYBMUJFWSA-N 1 2 353.423 -1.467 20 0 FAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Cn1nc2n(c1=O)CCCC2 ZINC000651462876 482782975 /nfs/dbraw/zinc/78/29/75/482782975.db2.gz DJKROSCCNHLOTI-ZDUSSCGKSA-N 1 2 353.423 -1.467 20 0 FAADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC000651476484 482783215 /nfs/dbraw/zinc/78/32/15/482783215.db2.gz APXSTQGIRFDPIN-GFCCVEGCSA-N 1 2 363.422 -1.468 20 0 FAADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC000651476485 482783470 /nfs/dbraw/zinc/78/34/70/482783470.db2.gz APXSTQGIRFDPIN-LBPRGKRZSA-N 1 2 363.422 -1.468 20 0 FAADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC000651477074 482783354 /nfs/dbraw/zinc/78/33/54/482783354.db2.gz QVLPFDSVLCZJGS-CHWSQXEVSA-N 1 2 358.464 -1.167 20 0 FAADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC000651477075 482783400 /nfs/dbraw/zinc/78/34/00/482783400.db2.gz QVLPFDSVLCZJGS-OLZOCXBDSA-N 1 2 358.464 -1.167 20 0 FAADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC000651477076 482783667 /nfs/dbraw/zinc/78/36/67/482783667.db2.gz QVLPFDSVLCZJGS-QWHCGFSZSA-N 1 2 358.464 -1.167 20 0 FAADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC000651477077 482783758 /nfs/dbraw/zinc/78/37/58/482783758.db2.gz QVLPFDSVLCZJGS-STQMWFEESA-N 1 2 358.464 -1.167 20 0 FAADLO C[C@@H](NC(=O)c1nc(N)nc(N2CCOCC2)n1)[C@H]1C[N@@H+](C)CCO1 ZINC000651543139 482793270 /nfs/dbraw/zinc/79/32/70/482793270.db2.gz JORMBBXNCQVPDL-GHMZBOCLSA-N 1 2 351.411 -1.430 20 0 FAADLO C[C@@H](NC(=O)c1nc(N)nc(N2CCOCC2)n1)[C@H]1C[N@H+](C)CCO1 ZINC000651543139 482793264 /nfs/dbraw/zinc/79/32/64/482793264.db2.gz JORMBBXNCQVPDL-GHMZBOCLSA-N 1 2 351.411 -1.430 20 0 FAADLO C[C@@H](NC(=O)c1nc(N)nc(N2CCOCC2)n1)[C@@H]1C[N@@H+](C)CCO1 ZINC000651543140 482793097 /nfs/dbraw/zinc/79/30/97/482793097.db2.gz JORMBBXNCQVPDL-MNOVXSKESA-N 1 2 351.411 -1.430 20 0 FAADLO C[C@@H](NC(=O)c1nc(N)nc(N2CCOCC2)n1)[C@@H]1C[N@H+](C)CCO1 ZINC000651543140 482793090 /nfs/dbraw/zinc/79/30/90/482793090.db2.gz JORMBBXNCQVPDL-MNOVXSKESA-N 1 2 351.411 -1.430 20 0 FAADLO C[C@H](NC(=O)c1nc(N)nc(N2CCOCC2)n1)[C@@H]1C[N@@H+](C)CCO1 ZINC000651543141 482794320 /nfs/dbraw/zinc/79/43/20/482794320.db2.gz JORMBBXNCQVPDL-QWRGUYRKSA-N 1 2 351.411 -1.430 20 0 FAADLO C[C@H](NC(=O)c1nc(N)nc(N2CCOCC2)n1)[C@@H]1C[N@H+](C)CCO1 ZINC000651543141 482794312 /nfs/dbraw/zinc/79/43/12/482794312.db2.gz JORMBBXNCQVPDL-QWRGUYRKSA-N 1 2 351.411 -1.430 20 0 FAADLO C[C@H](NC(=O)c1nc(N)nc(N2CCOCC2)n1)[C@H]1C[N@@H+](C)CCO1 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-1.678 20 0 FAADLO CNS(=O)(=O)[C@@H]1CC[N@H+](CCNS(=O)(=O)c2cnn(C)c2)C1 ZINC000676742098 483793558 /nfs/dbraw/zinc/79/35/58/483793558.db2.gz JSDXGPPIDOCTLZ-SNVBAGLBSA-N 1 2 351.454 -1.678 20 0 FAADLO COCCN(C(=O)C[N@H+]1CC[C@H](CC(N)=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000676923362 483793879 /nfs/dbraw/zinc/79/38/79/483793879.db2.gz UENHTKCOLTUAKD-CHWSQXEVSA-N 1 2 361.464 -1.154 20 0 FAADLO COCCN(C(=O)C[N@@H+]1CC[C@H](CC(N)=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000676923362 483793875 /nfs/dbraw/zinc/79/38/75/483793875.db2.gz UENHTKCOLTUAKD-CHWSQXEVSA-N 1 2 361.464 -1.154 20 0 FAADLO COCCN(C(=O)C[N@H+]1CC[C@H](CC(N)=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000676923363 483793625 /nfs/dbraw/zinc/79/36/25/483793625.db2.gz UENHTKCOLTUAKD-OLZOCXBDSA-N 1 2 361.464 -1.154 20 0 FAADLO COCCN(C(=O)C[N@@H+]1CC[C@H](CC(N)=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000676923363 483793623 /nfs/dbraw/zinc/79/36/23/483793623.db2.gz UENHTKCOLTUAKD-OLZOCXBDSA-N 1 2 361.464 -1.154 20 0 FAADLO COCCN(C(=O)C[N@H+]1CC[C@@H](CC(N)=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000676923364 483794040 /nfs/dbraw/zinc/79/40/40/483794040.db2.gz UENHTKCOLTUAKD-QWHCGFSZSA-N 1 2 361.464 -1.154 20 0 FAADLO COCCN(C(=O)C[N@@H+]1CC[C@@H](CC(N)=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000676923364 483794038 /nfs/dbraw/zinc/79/40/38/483794038.db2.gz UENHTKCOLTUAKD-QWHCGFSZSA-N 1 2 361.464 -1.154 20 0 FAADLO COCCN(C(=O)C[N@H+]1CC[C@@H](CC(N)=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000676923365 483794369 /nfs/dbraw/zinc/79/43/69/483794369.db2.gz UENHTKCOLTUAKD-STQMWFEESA-N 1 2 361.464 -1.154 20 0 FAADLO COCCN(C(=O)C[N@@H+]1CC[C@@H](CC(N)=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000676923365 483794367 /nfs/dbraw/zinc/79/43/67/483794367.db2.gz UENHTKCOLTUAKD-STQMWFEESA-N 1 2 361.464 -1.154 20 0 FAADLO CC[N@H+]1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C[C@H]1C ZINC000677151732 483794423 /nfs/dbraw/zinc/79/44/23/483794423.db2.gz HOKMPTQILZTIMJ-GFCCVEGCSA-N 1 2 354.498 -1.166 20 0 FAADLO CC[N@@H+]1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C[C@H]1C ZINC000677151732 483794420 /nfs/dbraw/zinc/79/44/20/483794420.db2.gz HOKMPTQILZTIMJ-GFCCVEGCSA-N 1 2 354.498 -1.166 20 0 FAADLO CC[N@H+]1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C[C@@H]1C ZINC000677151733 483794220 /nfs/dbraw/zinc/79/42/20/483794220.db2.gz HOKMPTQILZTIMJ-LBPRGKRZSA-N 1 2 354.498 -1.166 20 0 FAADLO CC[N@@H+]1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C[C@@H]1C ZINC000677151733 483794219 /nfs/dbraw/zinc/79/42/19/483794219.db2.gz HOKMPTQILZTIMJ-LBPRGKRZSA-N 1 2 354.498 -1.166 20 0 FAADLO O=C(C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)N1CCN([C@H]2CCOC2)CC1 ZINC000677235046 483794262 /nfs/dbraw/zinc/79/42/62/483794262.db2.gz KNIMFFYTIICNRR-HOTGVXAUSA-N 1 2 366.462 -1.147 20 0 FAADLO O=C(C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)N1CCN([C@@H]2CCOC2)CC1 ZINC000677235047 483794243 /nfs/dbraw/zinc/79/42/43/483794243.db2.gz KNIMFFYTIICNRR-HZPDHXFCSA-N 1 2 366.462 -1.147 20 0 FAADLO CN(CC(=O)N(CCO)CC[NH+]1CCOCC1)c1ncnc2nc[nH]c21 ZINC000677443893 483794569 /nfs/dbraw/zinc/79/45/69/483794569.db2.gz ATCZVRJLEKITFQ-UHFFFAOYSA-N 1 2 363.422 -1.058 20 0 FAADLO CCN1CCN(CC(=O)N(CCO)CC[NH+]2CCOCC2)C(=O)C1=O ZINC000677444157 483794594 /nfs/dbraw/zinc/79/45/94/483794594.db2.gz YIMJXKRUJODEOK-UHFFFAOYSA-N 1 2 356.423 -2.170 20 0 FAADLO O=C(Cn1nnc2ccccc2c1=O)N(CCO)CC[NH+]1CCOCC1 ZINC000677444264 483794247 /nfs/dbraw/zinc/79/42/47/483794247.db2.gz VCBCXHWAGNOQAL-UHFFFAOYSA-N 1 2 361.402 -1.055 20 0 FAADLO Cc1nnc(CN(C)CC(=O)N(CCO)CC[NH+]2CCOCC2)n1C ZINC000677444445 483794228 /nfs/dbraw/zinc/79/42/28/483794228.db2.gz FILISXQLGJVACJ-UHFFFAOYSA-N 1 2 354.455 -1.292 20 0 FAADLO NS(=O)(=O)N1CCC(C(=O)N(CCO)CC[NH+]2CCOCC2)CC1 ZINC000677444933 483794250 /nfs/dbraw/zinc/79/42/50/483794250.db2.gz RAUVOPMBSFHRTB-UHFFFAOYSA-N 1 2 364.468 -1.945 20 0 FAADLO NC(=O)c1cc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n[nH]1 ZINC000677491363 483794511 /nfs/dbraw/zinc/79/45/11/483794511.db2.gz RTRJHXTZIGDFHS-JTQLQIEISA-N 1 2 350.379 -1.372 20 0 FAADLO NC(=O)c1cc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n[nH]1 ZINC000677491364 483794211 /nfs/dbraw/zinc/79/42/11/483794211.db2.gz RTRJHXTZIGDFHS-SNVBAGLBSA-N 1 2 350.379 -1.372 20 0 FAADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCC(=O)N3)CC2)CC1 ZINC000677515672 483794412 /nfs/dbraw/zinc/79/44/12/483794412.db2.gz ZXSYXUGCILRAGS-ZDUSSCGKSA-N 1 2 373.479 -1.709 20 0 FAADLO Cn1cc(S(=O)(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c(=O)n(C)c1=O ZINC000677600739 483795019 /nfs/dbraw/zinc/79/50/19/483795019.db2.gz CMVMXYYCJNVTGG-LLVKDONJSA-N 1 2 358.420 -1.821 20 0 FAADLO Cn1cc(S(=O)(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c(=O)n(C)c1=O ZINC000677600740 483795208 /nfs/dbraw/zinc/79/52/08/483795208.db2.gz CMVMXYYCJNVTGG-NSHDSACASA-N 1 2 358.420 -1.821 20 0 FAADLO CCCCS(=O)(=O)NCC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000677789692 483795308 /nfs/dbraw/zinc/79/53/08/483795308.db2.gz IEFDVFZGPUJBNR-UHFFFAOYSA-N 1 2 351.469 -1.141 20 0 FAADLO Cn1c2[nH]c(CN(CCO)CC[NH+]3CCOCC3)nc2c(=O)n(C)c1=O ZINC000677802164 483795100 /nfs/dbraw/zinc/79/51/00/483795100.db2.gz DIHLQZMYSVBTQZ-UHFFFAOYSA-N 1 2 366.422 -1.913 20 0 FAADLO CN(CCCNC(=O)N(CCO)CC[NH+]1CCOCC1)S(C)(=O)=O ZINC000677895072 483794979 /nfs/dbraw/zinc/79/49/79/483794979.db2.gz BVFYYWXLBFGRBG-UHFFFAOYSA-N 1 2 366.484 -1.396 20 0 FAADLO CC(C)(CNC(=O)N(CCO)CC[NH+]1CCOCC1)NS(C)(=O)=O ZINC000677899891 483794835 /nfs/dbraw/zinc/79/48/35/483794835.db2.gz METZXVLQUHCCAR-UHFFFAOYSA-N 1 2 366.484 -1.350 20 0 FAADLO Cn1nnnc1CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000678489885 483795588 /nfs/dbraw/zinc/79/55/88/483795588.db2.gz ZCYQZNBPNALFJI-GFCCVEGCSA-N 1 2 351.411 -1.951 20 0 FAADLO Cn1nnnc1CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000678489893 483795760 /nfs/dbraw/zinc/79/57/60/483795760.db2.gz ZCYQZNBPNALFJI-LBPRGKRZSA-N 1 2 351.411 -1.951 20 0 FAADLO Cn1nnnc1CCNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000678510014 483795539 /nfs/dbraw/zinc/79/55/39/483795539.db2.gz QABQCZBPFMDTPK-UHFFFAOYSA-N 1 2 350.427 -1.298 20 0 FAADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCCc2nnnn2C)CC1 ZINC000678510640 483795684 /nfs/dbraw/zinc/79/56/84/483795684.db2.gz LJECCUGIPJGMDL-LLVKDONJSA-N 1 2 350.427 -1.253 20 0 FAADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCCc2nnnn2C)CC1 ZINC000678510641 483795934 /nfs/dbraw/zinc/79/59/34/483795934.db2.gz LJECCUGIPJGMDL-NSHDSACASA-N 1 2 350.427 -1.253 20 0 FAADLO CNC(=O)Cn1cc(NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cn1 ZINC000678543595 483796099 /nfs/dbraw/zinc/79/60/99/483796099.db2.gz GHTIBKLUMWRVML-CYBMUJFWSA-N 1 2 354.411 -1.214 20 0 FAADLO CNC(=O)Cn1cc(NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cn1 ZINC000678543596 483796234 /nfs/dbraw/zinc/79/62/34/483796234.db2.gz GHTIBKLUMWRVML-ZDUSSCGKSA-N 1 2 354.411 -1.214 20 0 FAADLO CNC(=O)Cn1cc(NC(=O)N(CCO)CC[NH+]2CCOCC2)cn1 ZINC000678545842 483796361 /nfs/dbraw/zinc/79/63/61/483796361.db2.gz CWWFXOMVCLXYPZ-UHFFFAOYSA-N 1 2 354.411 -1.213 20 0 FAADLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)NCCc2nnnn2C)CC1 ZINC000678565331 483796323 /nfs/dbraw/zinc/79/63/23/483796323.db2.gz ZMSJFNYHNZGZMJ-UHFFFAOYSA-N 1 2 352.443 -1.052 20 0 FAADLO C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@H]1O ZINC000678687998 483796121 /nfs/dbraw/zinc/79/61/21/483796121.db2.gz GALSSAQJICNKSK-GXTWGEPZSA-N 1 2 351.407 -1.007 20 0 FAADLO C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@@H]1O ZINC000678688000 483796137 /nfs/dbraw/zinc/79/61/37/483796137.db2.gz GALSSAQJICNKSK-JSGCOSHPSA-N 1 2 351.407 -1.007 20 0 FAADLO C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@@H]1O ZINC000678688001 483796371 /nfs/dbraw/zinc/79/63/71/483796371.db2.gz GALSSAQJICNKSK-OCCSQVGLSA-N 1 2 351.407 -1.007 20 0 FAADLO C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@H]1O ZINC000678688002 483796171 /nfs/dbraw/zinc/79/61/71/483796171.db2.gz GALSSAQJICNKSK-TZMCWYRMSA-N 1 2 351.407 -1.007 20 0 FAADLO CS(=O)(=O)N1CC[NH+](CCNc2ccc(C(=O)NCCO)nn2)CC1 ZINC000678710996 483796458 /nfs/dbraw/zinc/79/64/58/483796458.db2.gz JZGHRCYWGISZBJ-UHFFFAOYSA-N 1 2 372.451 -1.812 20 0 FAADLO CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N(CCO)CC[NH+]2CCOCC2)O1 ZINC000678782873 483796278 /nfs/dbraw/zinc/79/62/78/483796278.db2.gz IFEAWNKCULXQQE-CABCVRRESA-N 1 2 372.466 -1.042 20 0 FAADLO CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N(CCO)CC[NH+]2CCOCC2)O1 ZINC000678782883 483796146 /nfs/dbraw/zinc/79/61/46/483796146.db2.gz IFEAWNKCULXQQE-GJZGRUSLSA-N 1 2 372.466 -1.042 20 0 FAADLO CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)N(CCO)CC[NH+]2CCOCC2)O1 ZINC000678782887 483796466 /nfs/dbraw/zinc/79/64/66/483796466.db2.gz IFEAWNKCULXQQE-HUUCEWRRSA-N 1 2 372.466 -1.042 20 0 FAADLO CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)N(CCO)CC[NH+]2CCOCC2)O1 ZINC000678782892 483796242 /nfs/dbraw/zinc/79/62/42/483796242.db2.gz IFEAWNKCULXQQE-LSDHHAIUSA-N 1 2 372.466 -1.042 20 0 FAADLO Cn1ncc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1N ZINC000679173877 483797087 /nfs/dbraw/zinc/79/70/87/483797087.db2.gz OHIRGUQPBZXEEO-UHFFFAOYSA-N 1 2 371.467 -1.748 20 0 FAADLO C[C@H](CNC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1)S(N)(=O)=O ZINC000679793521 483797637 /nfs/dbraw/zinc/79/76/37/483797637.db2.gz ODCYGKMVXMTLQX-LLVKDONJSA-N 1 2 354.432 -1.088 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20 0 FAADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1CCN1C(=O)CNC1=O ZINC000820788600 606782347 /nfs/dbraw/zinc/78/23/47/606782347.db2.gz KETJZSUFXUBFDH-SNVBAGLBSA-N 1 2 372.393 -1.281 20 0 FAADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CCN1C(=O)CNC1=O ZINC000820788600 606782345 /nfs/dbraw/zinc/78/23/45/606782345.db2.gz KETJZSUFXUBFDH-SNVBAGLBSA-N 1 2 372.393 -1.281 20 0 FAADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1CCCS(N)(=O)=O ZINC000820788735 606781888 /nfs/dbraw/zinc/78/18/88/606781888.db2.gz NEEQEODRDSROEX-JTQLQIEISA-N 1 2 367.439 -1.154 20 0 FAADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CCCS(N)(=O)=O ZINC000820788735 606781887 /nfs/dbraw/zinc/78/18/87/606781887.db2.gz NEEQEODRDSROEX-JTQLQIEISA-N 1 2 367.439 -1.154 20 0 FAADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1CCCS(N)(=O)=O ZINC000820788736 606781855 /nfs/dbraw/zinc/78/18/55/606781855.db2.gz NEEQEODRDSROEX-SNVBAGLBSA-N 1 2 367.439 -1.154 20 0 FAADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CCCS(N)(=O)=O ZINC000820788736 606781854 /nfs/dbraw/zinc/78/18/54/606781854.db2.gz NEEQEODRDSROEX-SNVBAGLBSA-N 1 2 367.439 -1.154 20 0 FAADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1CC(=O)N1CCNC1=O ZINC000820788811 606782597 /nfs/dbraw/zinc/78/25/97/606782597.db2.gz OXYUCXNHYJCACB-JTQLQIEISA-N 1 2 372.393 -1.281 20 0 FAADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CC(=O)N1CCNC1=O ZINC000820788811 606782596 /nfs/dbraw/zinc/78/25/96/606782596.db2.gz OXYUCXNHYJCACB-JTQLQIEISA-N 1 2 372.393 -1.281 20 0 FAADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1CC(=O)N1CCNC1=O ZINC000820788812 606782797 /nfs/dbraw/zinc/78/27/97/606782797.db2.gz OXYUCXNHYJCACB-SNVBAGLBSA-N 1 2 372.393 -1.281 20 0 FAADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CC(=O)N1CCNC1=O ZINC000820788812 606782796 /nfs/dbraw/zinc/78/27/96/606782796.db2.gz OXYUCXNHYJCACB-SNVBAGLBSA-N 1 2 372.393 -1.281 20 0 FAADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1CCNS(C)(=O)=O ZINC000820788981 606780701 /nfs/dbraw/zinc/78/07/01/606780701.db2.gz SOFNJJSZBRRXFI-JTQLQIEISA-N 1 2 367.439 -1.284 20 0 FAADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CCNS(C)(=O)=O ZINC000820788981 606780699 /nfs/dbraw/zinc/78/06/99/606780699.db2.gz SOFNJJSZBRRXFI-JTQLQIEISA-N 1 2 367.439 -1.284 20 0 FAADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1CCNS(C)(=O)=O ZINC000820788982 606780299 /nfs/dbraw/zinc/78/02/99/606780299.db2.gz SOFNJJSZBRRXFI-SNVBAGLBSA-N 1 2 367.439 -1.284 20 0 FAADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CCNS(C)(=O)=O ZINC000820788982 606780298 /nfs/dbraw/zinc/78/02/98/606780298.db2.gz SOFNJJSZBRRXFI-SNVBAGLBSA-N 1 2 367.439 -1.284 20 0 FAADLO CN(C)S(=O)(=O)CCS(=O)(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000820792996 658628716 /nfs/dbraw/zinc/62/87/16/658628716.db2.gz NTPVKHFVDPLEHN-CYBMUJFWSA-N 1 2 369.509 -1.138 20 0 FAADLO CN(C)S(=O)(=O)CCS(=O)(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000820792997 658629096 /nfs/dbraw/zinc/62/90/96/658629096.db2.gz NTPVKHFVDPLEHN-ZDUSSCGKSA-N 1 2 369.509 -1.138 20 0 FAADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)CCS(=O)(=O)N(C)C)[C@H](C)C1 ZINC000820796946 658630554 /nfs/dbraw/zinc/63/05/54/658630554.db2.gz YMYWTJOWZUMIJC-NEPJUHHUSA-N 1 2 357.498 -1.406 20 0 FAADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)CCS(=O)(=O)N(C)C)[C@H](C)C1 ZINC000820796946 658630546 /nfs/dbraw/zinc/63/05/46/658630546.db2.gz YMYWTJOWZUMIJC-NEPJUHHUSA-N 1 2 357.498 -1.406 20 0 FAADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)CCS(=O)(=O)N(C)C)[C@@H](C)C1 ZINC000820796947 658630858 /nfs/dbraw/zinc/63/08/58/658630858.db2.gz YMYWTJOWZUMIJC-NWDGAFQWSA-N 1 2 357.498 -1.406 20 0 FAADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)CCS(=O)(=O)N(C)C)[C@@H](C)C1 ZINC000820796947 658630845 /nfs/dbraw/zinc/63/08/45/658630845.db2.gz YMYWTJOWZUMIJC-NWDGAFQWSA-N 1 2 357.498 -1.406 20 0 FAADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)CCS(=O)(=O)N(C)C)[C@@H](C)C1 ZINC000820796948 658629979 /nfs/dbraw/zinc/62/99/79/658629979.db2.gz YMYWTJOWZUMIJC-RYUDHWBXSA-N 1 2 357.498 -1.406 20 0 FAADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)CCS(=O)(=O)N(C)C)[C@@H](C)C1 ZINC000820796948 658629966 /nfs/dbraw/zinc/62/99/66/658629966.db2.gz YMYWTJOWZUMIJC-RYUDHWBXSA-N 1 2 357.498 -1.406 20 0 FAADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)CCS(=O)(=O)N(C)C)[C@H](C)C1 ZINC000820796949 658630674 /nfs/dbraw/zinc/63/06/74/658630674.db2.gz YMYWTJOWZUMIJC-VXGBXAGGSA-N 1 2 357.498 -1.406 20 0 FAADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)CCS(=O)(=O)N(C)C)[C@H](C)C1 ZINC000820796949 658630665 /nfs/dbraw/zinc/63/06/65/658630665.db2.gz YMYWTJOWZUMIJC-VXGBXAGGSA-N 1 2 357.498 -1.406 20 0 FAADLO CC1=NO[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000821546317 658631464 /nfs/dbraw/zinc/63/14/64/658631464.db2.gz DPHXYXCVWLGGMM-CYBMUJFWSA-N 1 2 359.452 -1.212 20 0 FAADLO CC1=NO[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000821546318 658632006 /nfs/dbraw/zinc/63/20/06/658632006.db2.gz DPHXYXCVWLGGMM-ZDUSSCGKSA-N 1 2 359.452 -1.212 20 0 FAADLO CN(C)CC[NH+]1CCC(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1 ZINC000821587222 607217109 /nfs/dbraw/zinc/21/71/09/607217109.db2.gz MHMOQJGQCBOSHQ-UHFFFAOYSA-N 1 2 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O=C1NC[C@H]2C[N@H+](CCOc3ccccc3-c3nn[nH]n3)CCN2C1=O ZINC000823541317 607071016 /nfs/dbraw/zinc/07/10/16/607071016.db2.gz OZJMFKOUIMNIBS-NSHDSACASA-N 1 2 357.374 -1.112 20 0 FAADLO O=C1NC(=O)N2CC[N@H+](C[C@H](O)COc3ccc(-c4nn[nH]n4)cc3)C[C@@H]12 ZINC000823541665 606395857 /nfs/dbraw/zinc/39/58/57/606395857.db2.gz RVYXDLHEMNIHKI-AAEUAGOBSA-N 1 2 373.373 -1.158 20 0 FAADLO O=C1NC(=O)N2CC[N@@H+](C[C@H](O)COc3ccc(-c4nn[nH]n4)cc3)C[C@@H]12 ZINC000823541665 606395856 /nfs/dbraw/zinc/39/58/56/606395856.db2.gz RVYXDLHEMNIHKI-AAEUAGOBSA-N 1 2 373.373 -1.158 20 0 FAADLO O=C1NC(=O)N2CC[N@H+](C[C@@H](O)COc3ccc(-c4nn[nH]n4)cc3)C[C@H]12 ZINC000823541666 606396361 /nfs/dbraw/zinc/39/63/61/606396361.db2.gz RVYXDLHEMNIHKI-DGCLKSJQSA-N 1 2 373.373 -1.158 20 0 FAADLO O=C1NC(=O)N2CC[N@@H+](C[C@@H](O)COc3ccc(-c4nn[nH]n4)cc3)C[C@H]12 ZINC000823541666 606396359 /nfs/dbraw/zinc/39/63/59/606396359.db2.gz RVYXDLHEMNIHKI-DGCLKSJQSA-N 1 2 373.373 -1.158 20 0 FAADLO O=C1NC(=O)N2CC[N@H+](C[C@H](O)COc3ccc(-c4nn[nH]n4)cc3)C[C@H]12 ZINC000823541667 606396138 /nfs/dbraw/zinc/39/61/38/606396138.db2.gz RVYXDLHEMNIHKI-WCQYABFASA-N 1 2 373.373 -1.158 20 0 FAADLO O=C1NC(=O)N2CC[N@@H+](C[C@H](O)COc3ccc(-c4nn[nH]n4)cc3)C[C@H]12 ZINC000823541667 606396137 /nfs/dbraw/zinc/39/61/37/606396137.db2.gz RVYXDLHEMNIHKI-WCQYABFASA-N 1 2 373.373 -1.158 20 0 FAADLO O=C1NC(=O)N2CC[N@H+](C[C@@H](O)COc3ccc(-c4nn[nH]n4)cc3)C[C@@H]12 ZINC000823541668 606396458 /nfs/dbraw/zinc/39/64/58/606396458.db2.gz RVYXDLHEMNIHKI-YPMHNXCESA-N 1 2 373.373 -1.158 20 0 FAADLO O=C1NC(=O)N2CC[N@@H+](C[C@@H](O)COc3ccc(-c4nn[nH]n4)cc3)C[C@@H]12 ZINC000823541668 606396455 /nfs/dbraw/zinc/39/64/55/606396455.db2.gz RVYXDLHEMNIHKI-YPMHNXCESA-N 1 2 373.373 -1.158 20 0 FAADLO O=C1NC[C@@H]2C[N@@H+](CCOc3cccc(-c4nn[nH]n4)c3)CCN2C1=O ZINC000823541708 606154276 /nfs/dbraw/zinc/15/42/76/606154276.db2.gz SCLSEWKESFWRCS-GFCCVEGCSA-N 1 2 357.374 -1.112 20 0 FAADLO O=C1NC[C@@H]2C[N@H+](CCOc3cccc(-c4nn[nH]n4)c3)CCN2C1=O ZINC000823541708 606154274 /nfs/dbraw/zinc/15/42/74/606154274.db2.gz SCLSEWKESFWRCS-GFCCVEGCSA-N 1 2 357.374 -1.112 20 0 FAADLO O=C1NC[C@H]2C[N@@H+](CCOc3cccc(-c4nn[nH]n4)c3)CCN2C1=O ZINC000823541709 606154190 /nfs/dbraw/zinc/15/41/90/606154190.db2.gz SCLSEWKESFWRCS-LBPRGKRZSA-N 1 2 357.374 -1.112 20 0 FAADLO O=C1NC[C@H]2C[N@H+](CCOc3cccc(-c4nn[nH]n4)c3)CCN2C1=O ZINC000823541709 606154189 /nfs/dbraw/zinc/15/41/89/606154189.db2.gz SCLSEWKESFWRCS-LBPRGKRZSA-N 1 2 357.374 -1.112 20 0 FAADLO CCn1cc(-c2nn[nH]n2)c(=O)n(CC(=O)NCCC[NH+](C)C)c1=O ZINC000825796292 608014398 /nfs/dbraw/zinc/01/43/98/608014398.db2.gz BRXRBPVJTXRNJN-UHFFFAOYSA-N 1 2 350.383 -1.722 20 0 FAADLO NC(=O)C[N@H+]1CCCN(C(=O)CNS(=O)(=O)c2ccccc2N)CC1 ZINC000826075253 658641838 /nfs/dbraw/zinc/64/18/38/658641838.db2.gz REBVCLPAJSRLTP-UHFFFAOYSA-N 1 2 369.447 -1.433 20 0 FAADLO NC(=O)C[N@@H+]1CCCN(C(=O)CNS(=O)(=O)c2ccccc2N)CC1 ZINC000826075253 658641831 /nfs/dbraw/zinc/64/18/31/658641831.db2.gz REBVCLPAJSRLTP-UHFFFAOYSA-N 1 2 369.447 -1.433 20 0 FAADLO CS[C@H]1CN(c2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)C[C@H]1[NH+](C)C ZINC000826227162 607987018 /nfs/dbraw/zinc/98/70/18/607987018.db2.gz MVEDDRAUBPANHQ-BDAKNGLRSA-N 1 2 366.451 -1.254 20 0 FAADLO CS[C@@H]1CN(c2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)C[C@@H]1[NH+](C)C ZINC000826227163 607987211 /nfs/dbraw/zinc/98/72/11/607987211.db2.gz MVEDDRAUBPANHQ-DTWKUNHWSA-N 1 2 366.451 -1.254 20 0 FAADLO CS[C@H]1CN(c2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)C[C@@H]1[NH+](C)C ZINC000826227164 607987024 /nfs/dbraw/zinc/98/70/24/607987024.db2.gz MVEDDRAUBPANHQ-IUCAKERBSA-N 1 2 366.451 -1.254 20 0 FAADLO CS[C@@H]1CN(c2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)C[C@H]1[NH+](C)C ZINC000826227165 607987223 /nfs/dbraw/zinc/98/72/23/607987223.db2.gz MVEDDRAUBPANHQ-RKDXNWHRSA-N 1 2 366.451 -1.254 20 0 FAADLO Cn1cc(-c2nn[nH]n2)c(=O)n(CC(=O)NC2CC[NH+](C3CC3)CC2)c1=O ZINC000826356282 608096541 /nfs/dbraw/zinc/09/65/41/608096541.db2.gz JXBYWQDZVPHWCE-UHFFFAOYSA-N 1 2 374.405 -1.530 20 0 FAADLO Cn1cc(-c2nn[nH]n2)c(NC(=O)NC[C@@H](O)C[NH+]2CCOCC2)n1 ZINC000826356792 608813516 /nfs/dbraw/zinc/81/35/16/608813516.db2.gz FYDKDYKVGLMPQD-SECBINFHSA-N 1 2 351.371 -1.585 20 0 FAADLO Cn1cc(-c2nn[nH]n2)c(NC(=O)NC[C@H](O)C[NH+]2CCOCC2)n1 ZINC000826356793 608814741 /nfs/dbraw/zinc/81/47/41/608814741.db2.gz FYDKDYKVGLMPQD-VIFPVBQESA-N 1 2 351.371 -1.585 20 0 FAADLO O=C(CO)N1CC[NH+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826415167 608456228 /nfs/dbraw/zinc/45/62/28/608456228.db2.gz UUZIALBBGSKPOC-CYBMUJFWSA-N 1 2 362.390 -1.257 20 0 FAADLO O=C(CO)N1CC[NH+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826415168 608456032 /nfs/dbraw/zinc/45/60/32/608456032.db2.gz UUZIALBBGSKPOC-ZDUSSCGKSA-N 1 2 362.390 -1.257 20 0 FAADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826428537 609464052 /nfs/dbraw/zinc/46/40/52/609464052.db2.gz DTPUDIZHSIRRSI-GFCCVEGCSA-N 1 2 374.405 -1.142 20 0 FAADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826428538 609464147 /nfs/dbraw/zinc/46/41/47/609464147.db2.gz DTPUDIZHSIRRSI-LBPRGKRZSA-N 1 2 374.405 -1.142 20 0 FAADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826428828 607740595 /nfs/dbraw/zinc/74/05/95/607740595.db2.gz MHRVEBBBMHTLTJ-LLVKDONJSA-N 1 2 374.405 -1.142 20 0 FAADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826428829 607740529 /nfs/dbraw/zinc/74/05/29/607740529.db2.gz MHRVEBBBMHTLTJ-NSHDSACASA-N 1 2 374.405 -1.142 20 0 FAADLO O=C(NC[C@H](O)C[NH+]1CCOCC1)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826433050 609195395 /nfs/dbraw/zinc/19/53/95/609195395.db2.gz SQQPLBPDZBMTTO-KBPBESRZSA-N 1 2 362.390 -1.291 20 0 FAADLO O=C(NC[C@@H](O)C[NH+]1CCOCC1)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826433051 609195534 /nfs/dbraw/zinc/19/55/34/609195534.db2.gz SQQPLBPDZBMTTO-KGLIPLIRSA-N 1 2 362.390 -1.291 20 0 FAADLO O=C(NC[C@H](O)C[NH+]1CCOCC1)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826433052 609195299 /nfs/dbraw/zinc/19/52/99/609195299.db2.gz SQQPLBPDZBMTTO-UONOGXRCSA-N 1 2 362.390 -1.291 20 0 FAADLO O=C(NC[C@@H](O)C[NH+]1CCOCC1)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826433053 609195124 /nfs/dbraw/zinc/19/51/24/609195124.db2.gz SQQPLBPDZBMTTO-ZIAGYGMSSA-N 1 2 362.390 -1.291 20 0 FAADLO O=S(=O)(c1ccc(-c2nn[nH]n2)nc1)N1CCC[N@H+](CCO)CC1 ZINC000826494706 607626139 /nfs/dbraw/zinc/62/61/39/607626139.db2.gz MJXPBKTXUPRVIT-UHFFFAOYSA-N 1 2 353.408 -1.050 20 0 FAADLO O=S(=O)(c1ccc(-c2nn[nH]n2)nc1)N1CCC[N@@H+](CCO)CC1 ZINC000826494706 607626138 /nfs/dbraw/zinc/62/61/38/607626138.db2.gz MJXPBKTXUPRVIT-UHFFFAOYSA-N 1 2 353.408 -1.050 20 0 FAADLO CC(=O)N1CCO[C@@H](C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)C1 ZINC000827089422 658646076 /nfs/dbraw/zinc/64/60/76/658646076.db2.gz YKSXNHNHSHXIMG-PBHICJAKSA-N 1 2 355.435 -1.034 20 0 FAADLO CC(=O)N1CCO[C@@H](C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)C1 ZINC000827089422 658646063 /nfs/dbraw/zinc/64/60/63/658646063.db2.gz YKSXNHNHSHXIMG-PBHICJAKSA-N 1 2 355.435 -1.034 20 0 FAADLO CC(=O)N1CCO[C@@H](C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)C1 ZINC000827089423 658646788 /nfs/dbraw/zinc/64/67/88/658646788.db2.gz YKSXNHNHSHXIMG-RHSMWYFYSA-N 1 2 355.435 -1.034 20 0 FAADLO CC(=O)N1CCO[C@@H](C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)C1 ZINC000827089423 658646784 /nfs/dbraw/zinc/64/67/84/658646784.db2.gz YKSXNHNHSHXIMG-RHSMWYFYSA-N 1 2 355.435 -1.034 20 0 FAADLO CC(=O)N1CCO[C@H](C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)C1 ZINC000827089424 658646769 /nfs/dbraw/zinc/64/67/69/658646769.db2.gz YKSXNHNHSHXIMG-WMLDXEAASA-N 1 2 355.435 -1.034 20 0 FAADLO CC(=O)N1CCO[C@H](C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)C1 ZINC000827089424 658646764 /nfs/dbraw/zinc/64/67/64/658646764.db2.gz YKSXNHNHSHXIMG-WMLDXEAASA-N 1 2 355.435 -1.034 20 0 FAADLO CC(=O)N1CCO[C@H](C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)C1 ZINC000827089425 658646275 /nfs/dbraw/zinc/64/62/75/658646275.db2.gz YKSXNHNHSHXIMG-YOEHRIQHSA-N 1 2 355.435 -1.034 20 0 FAADLO CC(=O)N1CCO[C@H](C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)C1 ZINC000827089425 658646267 /nfs/dbraw/zinc/64/62/67/658646267.db2.gz YKSXNHNHSHXIMG-YOEHRIQHSA-N 1 2 355.435 -1.034 20 0 FAADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000827322652 658646999 /nfs/dbraw/zinc/64/69/99/658646999.db2.gz ZHNUYNXLTXIPDH-FRRDWIJNSA-N 1 2 361.464 -1.095 20 0 FAADLO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000827322653 658646593 /nfs/dbraw/zinc/64/65/93/658646593.db2.gz ZHNUYNXLTXIPDH-JHJVBQTASA-N 1 2 361.464 -1.095 20 0 FAADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000827322654 658646486 /nfs/dbraw/zinc/64/64/86/658646486.db2.gz ZHNUYNXLTXIPDH-RWMBFGLXSA-N 1 2 361.464 -1.095 20 0 FAADLO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000827322655 658648560 /nfs/dbraw/zinc/64/85/60/658648560.db2.gz ZHNUYNXLTXIPDH-YNEHKIRRSA-N 1 2 361.464 -1.095 20 0 FAADLO CCOC(=O)N1CCN(S(=O)(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000827981139 658650084 /nfs/dbraw/zinc/65/00/84/658650084.db2.gz XVCKQVVHMFJMFD-CYBMUJFWSA-N 1 2 362.452 -1.244 20 0 FAADLO CCOC(=O)N1CCN(S(=O)(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000827981139 658650078 /nfs/dbraw/zinc/65/00/78/658650078.db2.gz XVCKQVVHMFJMFD-CYBMUJFWSA-N 1 2 362.452 -1.244 20 0 FAADLO C[NH+](C)CC(=O)N1CCN(C(=O)C[NH+]2CCC(NC(=O)[O-])CC2)CC1 ZINC000828010997 605628084 /nfs/dbraw/zinc/62/80/84/605628084.db2.gz XJEBJYBSANBZEH-UHFFFAOYSA-N 1 2 355.439 -1.049 20 0 FAADLO C[NH+](C)CCN1C[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)[O-])CC1=O ZINC000828030447 604394142 /nfs/dbraw/zinc/39/41/42/604394142.db2.gz IEZPDVVOVONVQZ-CHWSQXEVSA-N 1 2 355.439 -1.193 20 0 FAADLO C[NH+](C)CCN1C[C@H](C(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)[O-])CC1=O ZINC000828030447 604394138 /nfs/dbraw/zinc/39/41/38/604394138.db2.gz IEZPDVVOVONVQZ-CHWSQXEVSA-N 1 2 355.439 -1.193 20 0 FAADLO C[NH+](C)CCN1C[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)[O-])CC1=O ZINC000828030453 604394064 /nfs/dbraw/zinc/39/40/64/604394064.db2.gz IEZPDVVOVONVQZ-OLZOCXBDSA-N 1 2 355.439 -1.193 20 0 FAADLO C[NH+](C)CCN1C[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)[O-])CC1=O ZINC000828030453 604394062 /nfs/dbraw/zinc/39/40/62/604394062.db2.gz IEZPDVVOVONVQZ-OLZOCXBDSA-N 1 2 355.439 -1.193 20 0 FAADLO C[NH+](C)CCN1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)[O-])CC1=O ZINC000828030455 604394372 /nfs/dbraw/zinc/39/43/72/604394372.db2.gz IEZPDVVOVONVQZ-QWHCGFSZSA-N 1 2 355.439 -1.193 20 0 FAADLO C[NH+](C)CCN1C[C@@H](C(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)[O-])CC1=O ZINC000828030455 604394370 /nfs/dbraw/zinc/39/43/70/604394370.db2.gz IEZPDVVOVONVQZ-QWHCGFSZSA-N 1 2 355.439 -1.193 20 0 FAADLO C[NH+](C)CCN1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)[O-])CC1=O ZINC000828030458 604394306 /nfs/dbraw/zinc/39/43/06/604394306.db2.gz IEZPDVVOVONVQZ-STQMWFEESA-N 1 2 355.439 -1.193 20 0 FAADLO C[NH+](C)CCN1C[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)[O-])CC1=O ZINC000828030458 604394303 /nfs/dbraw/zinc/39/43/03/604394303.db2.gz IEZPDVVOVONVQZ-STQMWFEESA-N 1 2 355.439 -1.193 20 0 FAADLO CN1C(=O)[C@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@H]2C1=O ZINC000828437321 658650997 /nfs/dbraw/zinc/65/09/97/658650997.db2.gz BZZKKXRDIJOEBM-MQYQWHSLSA-N 1 2 351.403 -1.061 20 0 FAADLO C[NH+]1CCN(C(=O)CCNC(=O)C[NH+]2CCC(NC(=O)[O-])CC2)CC1 ZINC000828495683 605719786 /nfs/dbraw/zinc/71/97/86/605719786.db2.gz RKVGFWURWKPFPG-UHFFFAOYSA-N 1 2 355.439 -1.001 20 0 FAADLO O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCC(=O)NCC12COC2 ZINC000829396125 658652438 /nfs/dbraw/zinc/65/24/38/658652438.db2.gz ZMBCERBBHPACHQ-KGLIPLIRSA-N 1 2 353.419 -1.016 20 0 FAADLO O=C(CN1CC[NH2+]CC1=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000829518992 658653466 /nfs/dbraw/zinc/65/34/66/658653466.db2.gz PEAWRFFEERFVGY-UHFFFAOYSA-N 1 2 368.406 -1.201 20 0 FAADLO C[C@@H]1C(=O)N(C)S(=O)(=O)N1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000829552267 658652758 /nfs/dbraw/zinc/65/27/58/658652758.db2.gz XMBSQFBXZOUFIP-LLVKDONJSA-N 1 2 362.452 -1.379 20 0 FAADLO C[C@H]1C(=O)N(C)S(=O)(=O)N1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000829552273 658652915 /nfs/dbraw/zinc/65/29/15/658652915.db2.gz XMBSQFBXZOUFIP-NSHDSACASA-N 1 2 362.452 -1.379 20 0 FAADLO COC(=O)C1(O)CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000829946302 658654348 /nfs/dbraw/zinc/65/43/48/658654348.db2.gz OXQBXGQZTSANRU-GFCCVEGCSA-N 1 2 355.391 -2.087 20 0 FAADLO COC(=O)C1(O)CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000829946312 658654452 /nfs/dbraw/zinc/65/44/52/658654452.db2.gz OXQBXGQZTSANRU-LBPRGKRZSA-N 1 2 355.391 -2.087 20 0 FAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1COC2(CCC2)C1 ZINC000830073928 658655237 /nfs/dbraw/zinc/65/52/37/658655237.db2.gz ZQHUSTFMTHXGER-KBPBESRZSA-N 1 2 355.435 -1.034 20 0 FAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1COC2(CCC2)C1 ZINC000830073930 658655452 /nfs/dbraw/zinc/65/54/52/658655452.db2.gz ZQHUSTFMTHXGER-KGLIPLIRSA-N 1 2 355.435 -1.034 20 0 FAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1COC2(CCC2)C1 ZINC000830073931 658655199 /nfs/dbraw/zinc/65/51/99/658655199.db2.gz ZQHUSTFMTHXGER-UONOGXRCSA-N 1 2 355.435 -1.034 20 0 FAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1COC2(CCC2)C1 ZINC000830073932 658655326 /nfs/dbraw/zinc/65/53/26/658655326.db2.gz ZQHUSTFMTHXGER-ZIAGYGMSSA-N 1 2 355.435 -1.034 20 0 FAADLO CN(CCCNC(=O)C[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1)S(C)(=O)=O ZINC000830943249 658656557 /nfs/dbraw/zinc/65/65/57/658656557.db2.gz AHJHANDQGDNMTM-NEPJUHHUSA-N 1 2 362.452 -1.186 20 0 FAADLO CN(CCCNC(=O)C[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1)S(C)(=O)=O ZINC000830943249 658656543 /nfs/dbraw/zinc/65/65/43/658656543.db2.gz AHJHANDQGDNMTM-NEPJUHHUSA-N 1 2 362.452 -1.186 20 0 FAADLO O=C(CN1CC[NH2+]CC1=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000831191036 658657501 /nfs/dbraw/zinc/65/75/01/658657501.db2.gz FGXYDCIEFMZDFK-UHFFFAOYSA-N 1 2 372.369 -1.152 20 0 FAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(F)(F)C(=O)N1CCOCC1 ZINC000836202818 658664965 /nfs/dbraw/zinc/66/49/65/658664965.db2.gz 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C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000839333263 658441259 /nfs/dbraw/zinc/44/12/59/658441259.db2.gz QRDDVNUKZAODQF-UONOGXRCSA-N 1 2 352.435 -1.001 20 0 FAADLO C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000839333264 658441332 /nfs/dbraw/zinc/44/13/32/658441332.db2.gz QRDDVNUKZAODQF-ZIAGYGMSSA-N 1 2 352.435 -1.001 20 0 FAADLO C[C@H]1CCN(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000839965814 658585472 /nfs/dbraw/zinc/58/54/72/658585472.db2.gz XWUOSQXCMKVJGD-AWEZNQCLSA-N 1 2 359.496 -1.078 20 0 FAADLO C[C@@H]1CCN(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000839965815 658584716 /nfs/dbraw/zinc/58/47/16/658584716.db2.gz XWUOSQXCMKVJGD-CQSZACIVSA-N 1 2 359.496 -1.078 20 0 FAADLO COCC(COC)[NH+]1CCN(C(=O)C2=NN(CCO)C(=O)CC2)CC1 ZINC000840489071 658639167 /nfs/dbraw/zinc/63/91/67/658639167.db2.gz WFKDBVHWCWFXNO-UHFFFAOYSA-N 1 2 356.423 -1.237 20 0 FAADLO COC[C@@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)Cn1ccc(=O)n(C)c1=O ZINC000842962297 658670200 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373.483 -2.042 20 0 FAADLO CCNS(=O)(=O)CCNC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000844971152 658678973 /nfs/dbraw/zinc/67/89/73/658678973.db2.gz YZDHNCRSPFDXFL-UHFFFAOYSA-N 1 2 366.484 -1.084 20 0 FAADLO COCCOCC[NH+]1CCN(C(=O)NC[C@H]2CC(C(N)=O)=NO2)CC1 ZINC000845181197 658680322 /nfs/dbraw/zinc/68/03/22/658680322.db2.gz GTKMIKOYKZNUNT-GFCCVEGCSA-N 1 2 357.411 -1.393 20 0 FAADLO COCCOCC[NH+]1CCN(C(=O)NC[C@@H]2CC(C(N)=O)=NO2)CC1 ZINC000845181202 658679862 /nfs/dbraw/zinc/67/98/62/658679862.db2.gz GTKMIKOYKZNUNT-LBPRGKRZSA-N 1 2 357.411 -1.393 20 0 FAADLO Cc1nonc1CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000845184888 658679950 /nfs/dbraw/zinc/67/99/50/658679950.db2.gz MAFOLXPJMAKSHU-UHFFFAOYSA-N 1 2 372.451 -1.443 20 0 FAADLO CCON(C)C(=O)CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000846504283 658690949 /nfs/dbraw/zinc/69/09/49/658690949.db2.gz HWJBSPKNVZABEO-CYBMUJFWSA-N 1 2 356.423 -1.307 20 0 FAADLO CCON(C)C(=O)CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000846504285 658690615 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O=C(Cc1[nH]cc[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001005522596 658406378 /nfs/dbraw/zinc/40/63/78/658406378.db2.gz AUOPMOCYGSCNDL-KXNHARMFSA-N 1 2 367.431 -1.108 20 0 FAADLO NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001005667164 658408234 /nfs/dbraw/zinc/40/82/34/658408234.db2.gz CXCPLOORQVIWBS-MQYQWHSLSA-N 1 2 350.419 -1.169 20 0 FAADLO NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001005667168 658408672 /nfs/dbraw/zinc/40/86/72/658408672.db2.gz CXCPLOORQVIWBS-YIYPIFLZSA-N 1 2 350.419 -1.169 20 0 FAADLO CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001005996728 658422414 /nfs/dbraw/zinc/42/24/14/658422414.db2.gz MOMKJRXHMZVACL-QWHCGFSZSA-N 1 2 361.464 -1.013 20 0 FAADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001006727856 659199579 /nfs/dbraw/zinc/19/95/79/659199579.db2.gz ZZTZCZJSEYPODS-LPWJVIDDSA-N 1 2 367.431 -1.108 20 0 FAADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001006727861 659199548 /nfs/dbraw/zinc/19/95/48/659199548.db2.gz ZZTZCZJSEYPODS-XQHKEYJVSA-N 1 2 367.431 -1.108 20 0 FAADLO O=C(C[N@H+]1CCC[C@@H](NC(=O)[C@]23C[C@H]2COC3)C1)N1CCNC(=O)C1 ZINC001007378453 659201364 /nfs/dbraw/zinc/20/13/64/659201364.db2.gz BHQJBCHSIZLVKS-AHIWAGSCSA-N 1 2 350.419 -1.438 20 0 FAADLO O=C(C[N@@H+]1CCC[C@@H](NC(=O)[C@]23C[C@H]2COC3)C1)N1CCNC(=O)C1 ZINC001007378453 659201360 /nfs/dbraw/zinc/20/13/60/659201360.db2.gz BHQJBCHSIZLVKS-AHIWAGSCSA-N 1 2 350.419 -1.438 20 0 FAADLO O=C(C[N@H+]1CCC[C@H](NC(=O)[C@]23C[C@H]2COC3)C1)N1CCNC(=O)C1 ZINC001007378455 659201291 /nfs/dbraw/zinc/20/12/91/659201291.db2.gz BHQJBCHSIZLVKS-DCGLDWPTSA-N 1 2 350.419 -1.438 20 0 FAADLO O=C(C[N@@H+]1CCC[C@H](NC(=O)[C@]23C[C@H]2COC3)C1)N1CCNC(=O)C1 ZINC001007378455 659201285 /nfs/dbraw/zinc/20/12/85/659201285.db2.gz BHQJBCHSIZLVKS-DCGLDWPTSA-N 1 2 350.419 -1.438 20 0 FAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC2CCOCC2)C1 ZINC001008549000 659204635 /nfs/dbraw/zinc/20/46/35/659204635.db2.gz ZHMPLEPIMIYGLN-MCIONIFRSA-N 1 2 352.435 -1.016 20 0 FAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC(=O)NC2CCOCC2)C1 ZINC001008549000 659204629 /nfs/dbraw/zinc/20/46/29/659204629.db2.gz ZHMPLEPIMIYGLN-MCIONIFRSA-N 1 2 352.435 -1.016 20 0 FAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC(=O)NC2CCOCC2)C1 ZINC001008549001 659204431 /nfs/dbraw/zinc/20/44/31/659204431.db2.gz ZHMPLEPIMIYGLN-MJBXVCDLSA-N 1 2 352.435 -1.016 20 0 FAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC(=O)NC2CCOCC2)C1 ZINC001008549001 659204425 /nfs/dbraw/zinc/20/44/25/659204425.db2.gz ZHMPLEPIMIYGLN-MJBXVCDLSA-N 1 2 352.435 -1.016 20 0 FAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001008556404 659204743 /nfs/dbraw/zinc/20/47/43/659204743.db2.gz IFPJBTJOKLBRIJ-TUAOUCFPSA-N 1 2 351.407 -2.353 20 0 FAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001008556404 659204741 /nfs/dbraw/zinc/20/47/41/659204741.db2.gz IFPJBTJOKLBRIJ-TUAOUCFPSA-N 1 2 351.407 -2.353 20 0 FAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001008556405 659204516 /nfs/dbraw/zinc/20/45/16/659204516.db2.gz IFPJBTJOKLBRIJ-UTUOFQBUSA-N 1 2 351.407 -2.353 20 0 FAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001008556405 659204508 /nfs/dbraw/zinc/20/45/08/659204508.db2.gz IFPJBTJOKLBRIJ-UTUOFQBUSA-N 1 2 351.407 -2.353 20 0 FAADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001011170253 659212427 /nfs/dbraw/zinc/21/24/27/659212427.db2.gz KKCVPVQYAOHLGK-IJLUTSLNSA-N 1 2 367.431 -1.124 20 0 FAADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001011170253 659212425 /nfs/dbraw/zinc/21/24/25/659212425.db2.gz KKCVPVQYAOHLGK-IJLUTSLNSA-N 1 2 367.431 -1.124 20 0 FAADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001011170254 659212388 /nfs/dbraw/zinc/21/23/88/659212388.db2.gz KKCVPVQYAOHLGK-UTUOFQBUSA-N 1 2 367.431 -1.124 20 0 FAADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001011170254 659212386 /nfs/dbraw/zinc/21/23/86/659212386.db2.gz KKCVPVQYAOHLGK-UTUOFQBUSA-N 1 2 367.431 -1.124 20 0 FAADLO CC(C)(C(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1)[NH+]1CCOCC1 ZINC001011551926 659214105 /nfs/dbraw/zinc/21/41/05/659214105.db2.gz BOQNQMAIFWBJRP-OLZOCXBDSA-N 1 2 352.435 -1.111 20 0 FAADLO NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001011971557 659214839 /nfs/dbraw/zinc/21/48/39/659214839.db2.gz HXZNCOADHLGUOS-OLZOCXBDSA-N 1 2 354.407 -1.978 20 0 FAADLO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCOCC3)C2)C1 ZINC001014463815 659215751 /nfs/dbraw/zinc/21/57/51/659215751.db2.gz RRJYCQLFKJDDMI-HZSPNIEDSA-N 1 2 352.435 -1.050 20 0 FAADLO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCOCC3)C2)C1 ZINC001014463815 659215746 /nfs/dbraw/zinc/21/57/46/659215746.db2.gz RRJYCQLFKJDDMI-HZSPNIEDSA-N 1 2 352.435 -1.050 20 0 FAADLO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCOCC3)C2)C1 ZINC001014463816 659215878 /nfs/dbraw/zinc/21/58/78/659215878.db2.gz RRJYCQLFKJDDMI-MGPQQGTHSA-N 1 2 352.435 -1.050 20 0 FAADLO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCOCC3)C2)C1 ZINC001014463816 659215876 /nfs/dbraw/zinc/21/58/76/659215876.db2.gz RRJYCQLFKJDDMI-MGPQQGTHSA-N 1 2 352.435 -1.050 20 0 FAADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001014789500 659215869 /nfs/dbraw/zinc/21/58/69/659215869.db2.gz PGNQQSQMLULIEY-HUBLWGQQSA-N 1 2 354.407 -2.061 20 0 FAADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001014789500 659215864 /nfs/dbraw/zinc/21/58/64/659215864.db2.gz PGNQQSQMLULIEY-HUBLWGQQSA-N 1 2 354.407 -2.061 20 0 FAADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001014789501 659216019 /nfs/dbraw/zinc/21/60/19/659216019.db2.gz PGNQQSQMLULIEY-ZOWXZIJZSA-N 1 2 354.407 -2.061 20 0 FAADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001014789501 659216014 /nfs/dbraw/zinc/21/60/14/659216014.db2.gz PGNQQSQMLULIEY-ZOWXZIJZSA-N 1 2 354.407 -2.061 20 0 FAADLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001014799829 659215936 /nfs/dbraw/zinc/21/59/36/659215936.db2.gz FGYLQZUKQDPCRU-IOASZLSFSA-N 1 2 352.435 -1.050 20 0 FAADLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001014799829 659215934 /nfs/dbraw/zinc/21/59/34/659215934.db2.gz FGYLQZUKQDPCRU-IOASZLSFSA-N 1 2 352.435 -1.050 20 0 FAADLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001014799830 659216422 /nfs/dbraw/zinc/21/64/22/659216422.db2.gz FGYLQZUKQDPCRU-WWGRRREGSA-N 1 2 352.435 -1.050 20 0 FAADLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001014799830 659216420 /nfs/dbraw/zinc/21/64/20/659216420.db2.gz FGYLQZUKQDPCRU-WWGRRREGSA-N 1 2 352.435 -1.050 20 0 FAADLO C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)O1 ZINC001014922058 659216369 /nfs/dbraw/zinc/21/63/69/659216369.db2.gz YZWKQRQJTJYMNZ-FRRDWIJNSA-N 1 2 353.423 -1.552 20 0 FAADLO C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2CC[N@H+](CCN3C(=O)CNC3=O)C2)O1 ZINC001014922058 659216367 /nfs/dbraw/zinc/21/63/67/659216367.db2.gz YZWKQRQJTJYMNZ-FRRDWIJNSA-N 1 2 353.423 -1.552 20 0 FAADLO C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)O1 ZINC001014922059 659216509 /nfs/dbraw/zinc/21/65/09/659216509.db2.gz YZWKQRQJTJYMNZ-JHJVBQTASA-N 1 2 353.423 -1.552 20 0 FAADLO C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CC[N@H+](CCN3C(=O)CNC3=O)C2)O1 ZINC001014922059 659216505 /nfs/dbraw/zinc/21/65/05/659216505.db2.gz YZWKQRQJTJYMNZ-JHJVBQTASA-N 1 2 353.423 -1.552 20 0 FAADLO CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001015348916 659216460 /nfs/dbraw/zinc/21/64/60/659216460.db2.gz SFAJLQHZCKLLHI-MCIONIFRSA-N 1 2 352.435 -1.050 20 0 FAADLO CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001015348916 659216456 /nfs/dbraw/zinc/21/64/56/659216456.db2.gz SFAJLQHZCKLLHI-MCIONIFRSA-N 1 2 352.435 -1.050 20 0 FAADLO CC[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001015348920 659216648 /nfs/dbraw/zinc/21/66/48/659216648.db2.gz SFAJLQHZCKLLHI-MJBXVCDLSA-N 1 2 352.435 -1.050 20 0 FAADLO CC[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001015348920 659216643 /nfs/dbraw/zinc/21/66/43/659216643.db2.gz SFAJLQHZCKLLHI-MJBXVCDLSA-N 1 2 352.435 -1.050 20 0 FAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001015356599 659216396 /nfs/dbraw/zinc/21/63/96/659216396.db2.gz LEDHGAGVGLNDDA-KFWWJZLASA-N 1 2 354.451 -1.197 20 0 FAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001015356599 659216392 /nfs/dbraw/zinc/21/63/92/659216392.db2.gz LEDHGAGVGLNDDA-KFWWJZLASA-N 1 2 354.451 -1.197 20 0 FAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001015356600 659216435 /nfs/dbraw/zinc/21/64/35/659216435.db2.gz LEDHGAGVGLNDDA-ZNMIVQPWSA-N 1 2 354.451 -1.197 20 0 FAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001015356600 659216433 /nfs/dbraw/zinc/21/64/33/659216433.db2.gz LEDHGAGVGLNDDA-ZNMIVQPWSA-N 1 2 354.451 -1.197 20 0 FAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCOCC3)C2)O1 ZINC001015697323 659216469 /nfs/dbraw/zinc/21/64/69/659216469.db2.gz RCIOMMGHEXHQPJ-FRRDWIJNSA-N 1 2 354.407 -1.931 20 0 FAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCOCC3)C2)O1 ZINC001015697323 659216466 /nfs/dbraw/zinc/21/64/66/659216466.db2.gz RCIOMMGHEXHQPJ-FRRDWIJNSA-N 1 2 354.407 -1.931 20 0 FAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCOCC3)C2)O1 ZINC001015697324 659216542 /nfs/dbraw/zinc/21/65/42/659216542.db2.gz RCIOMMGHEXHQPJ-RWMBFGLXSA-N 1 2 354.407 -1.931 20 0 FAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCOCC3)C2)O1 ZINC001015697324 659216538 /nfs/dbraw/zinc/21/65/38/659216538.db2.gz RCIOMMGHEXHQPJ-RWMBFGLXSA-N 1 2 354.407 -1.931 20 0 FAADLO O=C(C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1)N1CCNC(=O)C1 ZINC001015729471 659217179 /nfs/dbraw/zinc/21/71/79/659217179.db2.gz DJYAAIYMGWQTSI-DGAVXFQQSA-N 1 2 350.419 -1.297 20 0 FAADLO O=C(C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1)N1CCNC(=O)C1 ZINC001015729471 659217176 /nfs/dbraw/zinc/21/71/76/659217176.db2.gz DJYAAIYMGWQTSI-DGAVXFQQSA-N 1 2 350.419 -1.297 20 0 FAADLO O=C(C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1)N1CCNC(=O)C1 ZINC001015729472 659216960 /nfs/dbraw/zinc/21/69/60/659216960.db2.gz DJYAAIYMGWQTSI-SYQHCUMBSA-N 1 2 350.419 -1.297 20 0 FAADLO O=C(C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1)N1CCNC(=O)C1 ZINC001015729472 659216957 /nfs/dbraw/zinc/21/69/57/659216957.db2.gz DJYAAIYMGWQTSI-SYQHCUMBSA-N 1 2 350.419 -1.297 20 0 FAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC001018372572 659218861 /nfs/dbraw/zinc/21/88/61/659218861.db2.gz RAPLMBVRCOHWET-MCIONIFRSA-N 1 2 352.435 -1.517 20 0 FAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC001018372573 659219186 /nfs/dbraw/zinc/21/91/86/659219186.db2.gz RAPLMBVRCOHWET-MJBXVCDLSA-N 1 2 352.435 -1.517 20 0 FAADLO Cn1[nH]c(C[NH2+][C@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)nc1=O ZINC001019180310 659219990 /nfs/dbraw/zinc/21/99/90/659219990.db2.gz NURXSFDANYJKQV-ZJQBRPOHSA-N 1 2 351.407 -1.150 20 0 FAADLO CN(C)c1noc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)n1 ZINC001019376973 659220128 /nfs/dbraw/zinc/22/01/28/659220128.db2.gz GZJGFWNXUOBRFF-GARJFASQSA-N 1 2 352.395 -1.141 20 0 FAADLO COCc1noc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)n1 ZINC001019377165 659220043 /nfs/dbraw/zinc/22/00/43/659220043.db2.gz OYHYVKUSLRLTOK-GARJFASQSA-N 1 2 353.379 -1.061 20 0 FAADLO CNC(=O)Cc1noc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 ZINC001019391615 659220073 /nfs/dbraw/zinc/22/00/73/659220073.db2.gz BMJCCAXFIYXXBN-AEJSXWLSSA-N 1 2 350.379 -1.830 20 0 FAADLO CS(=O)(=O)Cc1noc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 ZINC001019391893 659220093 /nfs/dbraw/zinc/22/00/93/659220093.db2.gz RQRRMFOKJXHZJX-AEJSXWLSSA-N 1 2 371.419 -1.574 20 0 FAADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnn(C)n3)C2)O1 ZINC001020581895 657148847 /nfs/dbraw/zinc/14/88/47/657148847.db2.gz SANJMKNZFDLJLZ-KKOKHZNYSA-N 1 2 351.411 -1.417 20 0 FAADLO CS(=O)(=O)Cc1noc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 ZINC001020594364 657153703 /nfs/dbraw/zinc/15/37/03/657153703.db2.gz JKTCHIGMIIBBMO-KYXWUPHJSA-N 1 2 371.419 -1.528 20 0 FAADLO C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CN(C(=O)CS(C)(=O)=O)C[C@H]32)C1 ZINC001021291304 657210743 /nfs/dbraw/zinc/21/07/43/657210743.db2.gz RXPVQMBMWDSPJS-XQQFMLRXSA-N 1 2 359.448 -1.579 20 0 FAADLO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CN(C(=O)CS(C)(=O)=O)C[C@H]32)C1 ZINC001021291304 657210740 /nfs/dbraw/zinc/21/07/40/657210740.db2.gz RXPVQMBMWDSPJS-XQQFMLRXSA-N 1 2 359.448 -1.579 20 0 FAADLO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CN(C(=O)CS(C)(=O)=O)C[C@H]32)C1 ZINC001021291305 657210549 /nfs/dbraw/zinc/21/05/49/657210549.db2.gz RXPVQMBMWDSPJS-YNEHKIRRSA-N 1 2 359.448 -1.579 20 0 FAADLO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CN(C(=O)CS(C)(=O)=O)C[C@H]32)C1 ZINC001021291305 657210544 /nfs/dbraw/zinc/21/05/44/657210544.db2.gz RXPVQMBMWDSPJS-YNEHKIRRSA-N 1 2 359.448 -1.579 20 0 FAADLO C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CN(C(=O)C4(C(N)=O)CC4)C[C@H]32)C1 ZINC001021293485 657210818 /nfs/dbraw/zinc/21/08/18/657210818.db2.gz HFAATIZNWXPPRP-XQQFMLRXSA-N 1 2 350.419 -1.358 20 0 FAADLO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CN(C(=O)C4(C(N)=O)CC4)C[C@H]32)C1 ZINC001021293485 657210813 /nfs/dbraw/zinc/21/08/13/657210813.db2.gz HFAATIZNWXPPRP-XQQFMLRXSA-N 1 2 350.419 -1.358 20 0 FAADLO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CN(C(=O)C4(C(N)=O)CC4)C[C@H]32)C1 ZINC001021293487 657210637 /nfs/dbraw/zinc/21/06/37/657210637.db2.gz HFAATIZNWXPPRP-YNEHKIRRSA-N 1 2 350.419 -1.358 20 0 FAADLO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CN(C(=O)C4(C(N)=O)CC4)C[C@H]32)C1 ZINC001021293487 657210629 /nfs/dbraw/zinc/21/06/29/657210629.db2.gz HFAATIZNWXPPRP-YNEHKIRRSA-N 1 2 350.419 -1.358 20 0 FAADLO C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CN(C(=O)C(C)(C)C(N)=O)C[C@H]32)C1 ZINC001021294029 657210477 /nfs/dbraw/zinc/21/04/77/657210477.db2.gz NWNCXFDUZYBKDR-XQQFMLRXSA-N 1 2 352.435 -1.112 20 0 FAADLO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CN(C(=O)C(C)(C)C(N)=O)C[C@H]32)C1 ZINC001021294029 657210469 /nfs/dbraw/zinc/21/04/69/657210469.db2.gz NWNCXFDUZYBKDR-XQQFMLRXSA-N 1 2 352.435 -1.112 20 0 FAADLO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CN(C(=O)C(C)(C)C(N)=O)C[C@H]32)C1 ZINC001021294030 657210561 /nfs/dbraw/zinc/21/05/61/657210561.db2.gz NWNCXFDUZYBKDR-YNEHKIRRSA-N 1 2 352.435 -1.112 20 0 FAADLO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CN(C(=O)C(C)(C)C(N)=O)C[C@H]32)C1 ZINC001021294030 657210558 /nfs/dbraw/zinc/21/05/58/657210558.db2.gz NWNCXFDUZYBKDR-YNEHKIRRSA-N 1 2 352.435 -1.112 20 0 FAADLO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CN(C(=O)C4CS(=O)(=O)C4)C[C@H]32)C1 ZINC001021294362 657210398 /nfs/dbraw/zinc/21/03/98/657210398.db2.gz YPTPXBZUXNTVDY-IACUBPJLSA-N 1 2 371.459 -1.579 20 0 FAADLO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CN(C(=O)C4CS(=O)(=O)C4)C[C@H]32)C1 ZINC001021294362 657210391 /nfs/dbraw/zinc/21/03/91/657210391.db2.gz YPTPXBZUXNTVDY-IACUBPJLSA-N 1 2 371.459 -1.579 20 0 FAADLO C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CN(C(=O)C4CS(=O)(=O)C4)C[C@H]32)C1 ZINC001021294363 657210768 /nfs/dbraw/zinc/21/07/68/657210768.db2.gz YPTPXBZUXNTVDY-YUTCNCBUSA-N 1 2 371.459 -1.579 20 0 FAADLO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CN(C(=O)C4CS(=O)(=O)C4)C[C@H]32)C1 ZINC001021294363 657210765 /nfs/dbraw/zinc/21/07/65/657210765.db2.gz YPTPXBZUXNTVDY-YUTCNCBUSA-N 1 2 371.459 -1.579 20 0 FAADLO O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)N3)[C@@H]2C1 ZINC001021729296 657249442 /nfs/dbraw/zinc/24/94/42/657249442.db2.gz RKONDDSKGZKASK-QJPTWQEYSA-N 1 2 367.431 -1.297 20 0 FAADLO O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)[C@@H]2C1 ZINC001021729297 657249612 /nfs/dbraw/zinc/24/96/12/657249612.db2.gz RKONDDSKGZKASK-SDDRHHMPSA-N 1 2 367.431 -1.297 20 0 FAADLO O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)[C@@H]2C1 ZINC001021730876 657250421 /nfs/dbraw/zinc/25/04/21/657250421.db2.gz KWJXECXDCXQRJA-RWMBFGLXSA-N 1 2 367.431 -1.366 20 0 FAADLO O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)N3)[C@@H]2C1 ZINC001021730877 657250090 /nfs/dbraw/zinc/25/00/90/657250090.db2.gz KWJXECXDCXQRJA-YNEHKIRRSA-N 1 2 367.431 -1.366 20 0 FAADLO O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)N3)[C@@H]2C1 ZINC001021731463 657250478 /nfs/dbraw/zinc/25/04/78/657250478.db2.gz UDJWLXUWBKFMEJ-CYZMBNFOSA-N 1 2 367.431 -1.297 20 0 FAADLO O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)[C@@H]2C1 ZINC001021731465 657250201 /nfs/dbraw/zinc/25/02/01/657250201.db2.gz UDJWLXUWBKFMEJ-WCFLWFBJSA-N 1 2 367.431 -1.297 20 0 FAADLO O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCN(C(=O)C3CS(=O)(=O)C3)[C@@H]2C1 ZINC001021759267 657252308 /nfs/dbraw/zinc/25/23/08/657252308.db2.gz SSPWZYPYAPFIGE-WCQYABFASA-N 1 2 352.416 -1.013 20 0 FAADLO O=C(Cn1cc[nH+]c1)N1CC[C@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@H]21 ZINC001022035591 657257979 /nfs/dbraw/zinc/25/79/79/657257979.db2.gz BCTHGWSNDQXUEW-WCQYABFASA-N 1 2 352.416 -1.013 20 0 FAADLO O=C(Cn1cc[nH+]c1)N1CC[C@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@H]21 ZINC001022039928 657258377 /nfs/dbraw/zinc/25/83/77/657258377.db2.gz YTKFFYNVXMTMPB-RWMBFGLXSA-N 1 2 367.431 -1.366 20 0 FAADLO O=C(Cn1cc[nH+]c1)N1CC[C@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@H]21 ZINC001022039930 657258530 /nfs/dbraw/zinc/25/85/30/657258530.db2.gz YTKFFYNVXMTMPB-YNEHKIRRSA-N 1 2 367.431 -1.366 20 0 FAADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@H]21 ZINC001022524565 657267018 /nfs/dbraw/zinc/26/70/18/657267018.db2.gz XHADIJUDALBDBP-QJPTWQEYSA-N 1 2 367.431 -1.297 20 0 FAADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@H]21 ZINC001022524566 657267097 /nfs/dbraw/zinc/26/70/97/657267097.db2.gz XHADIJUDALBDBP-SDDRHHMPSA-N 1 2 367.431 -1.297 20 0 FAADLO NC(=O)C(=O)N1CC[C@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C[C@H]21 ZINC001022554941 657267623 /nfs/dbraw/zinc/26/76/23/657267623.db2.gz HXYSRIHEDMQYNG-BFHYXJOUSA-N 1 2 350.419 -1.358 20 0 FAADLO NC(=O)C(=O)N1CC[C@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCOCC3)C[C@H]21 ZINC001022554942 657267511 /nfs/dbraw/zinc/26/75/11/657267511.db2.gz HXYSRIHEDMQYNG-MJBXVCDLSA-N 1 2 350.419 -1.358 20 0 FAADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnn(C)n3)C2)O1 ZINC001022706304 657270065 /nfs/dbraw/zinc/27/00/65/657270065.db2.gz SANJMKNZFDLJLZ-KXNHARMFSA-N 1 2 351.411 -1.417 20 0 FAADLO CS(=O)(=O)Cc1noc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 ZINC001022726890 657270884 /nfs/dbraw/zinc/27/08/84/657270884.db2.gz JKTCHIGMIIBBMO-RGOKHQFPSA-N 1 2 371.419 -1.528 20 0 FAADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@H]21 ZINC001022843571 657276387 /nfs/dbraw/zinc/27/63/87/657276387.db2.gz QSSWTARJYYUAHX-CYZMBNFOSA-N 1 2 367.431 -1.297 20 0 FAADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@H]21 ZINC001022843572 657276431 /nfs/dbraw/zinc/27/64/31/657276431.db2.gz QSSWTARJYYUAHX-WCFLWFBJSA-N 1 2 367.431 -1.297 20 0 FAADLO CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1O ZINC001022844571 657276444 /nfs/dbraw/zinc/27/64/44/657276444.db2.gz JUVABQVXOXZIBO-TUVASFSCSA-N 1 2 355.435 -1.036 20 0 FAADLO 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SBLKZJPHKDBXKJ-NWDGAFQWSA-N 1 2 353.379 -2.078 20 0 FAADLO NC(=O)NCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001061259552 679947635 /nfs/dbraw/zinc/94/76/35/679947635.db2.gz QOPOIGFRGSNVKD-GMTAPVOTSA-N 1 2 350.379 -1.475 20 0 FAADLO NC(=O)NCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001061259552 679947629 /nfs/dbraw/zinc/94/76/29/679947629.db2.gz QOPOIGFRGSNVKD-GMTAPVOTSA-N 1 2 350.379 -1.475 20 0 FAADLO NC(=O)NCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001061259553 679947578 /nfs/dbraw/zinc/94/75/78/679947578.db2.gz QOPOIGFRGSNVKD-HBNTYKKESA-N 1 2 350.379 -1.475 20 0 FAADLO NC(=O)NCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001061259553 679947572 /nfs/dbraw/zinc/94/75/72/679947572.db2.gz QOPOIGFRGSNVKD-HBNTYKKESA-N 1 2 350.379 -1.475 20 0 FAADLO CS(=O)(=O)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001061382784 679949766 /nfs/dbraw/zinc/94/97/66/679949766.db2.gz UNPQJOMNCOEZHI-IJLUTSLNSA-N 1 2 370.431 -1.099 20 0 FAADLO CS(=O)(=O)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001061382784 679949758 /nfs/dbraw/zinc/94/97/58/679949758.db2.gz UNPQJOMNCOEZHI-IJLUTSLNSA-N 1 2 370.431 -1.099 20 0 FAADLO CS(=O)(=O)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001061382786 679949817 /nfs/dbraw/zinc/94/98/17/679949817.db2.gz UNPQJOMNCOEZHI-QJPTWQEYSA-N 1 2 370.431 -1.099 20 0 FAADLO CS(=O)(=O)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001061382786 679949814 /nfs/dbraw/zinc/94/98/14/679949814.db2.gz UNPQJOMNCOEZHI-QJPTWQEYSA-N 1 2 370.431 -1.099 20 0 FAADLO NC(=O)NCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001061676977 679959669 /nfs/dbraw/zinc/95/96/69/679959669.db2.gz DMISGDANTDLJLL-GMTAPVOTSA-N 1 2 350.379 -1.475 20 0 FAADLO NC(=O)NCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001061676977 679959664 /nfs/dbraw/zinc/95/96/64/679959664.db2.gz DMISGDANTDLJLL-GMTAPVOTSA-N 1 2 350.379 -1.475 20 0 FAADLO NC(=O)NCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001061676979 679959873 /nfs/dbraw/zinc/95/98/73/679959873.db2.gz DMISGDANTDLJLL-HBNTYKKESA-N 1 2 350.379 -1.475 20 0 FAADLO NC(=O)NCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001061676979 679959870 /nfs/dbraw/zinc/95/98/70/679959870.db2.gz DMISGDANTDLJLL-HBNTYKKESA-N 1 2 350.379 -1.475 20 0 FAADLO NC(=O)NCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001064839835 679974211 /nfs/dbraw/zinc/97/42/11/679974211.db2.gz FXBOZWKROMCQHC-GMTAPVOTSA-N 1 2 350.379 -1.475 20 0 FAADLO NC(=O)NCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001064839835 679974206 /nfs/dbraw/zinc/97/42/06/679974206.db2.gz FXBOZWKROMCQHC-GMTAPVOTSA-N 1 2 350.379 -1.475 20 0 FAADLO NC(=O)NCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001064839836 679974268 /nfs/dbraw/zinc/97/42/68/679974268.db2.gz FXBOZWKROMCQHC-HBNTYKKESA-N 1 2 350.379 -1.475 20 0 FAADLO NC(=O)NCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001064839836 679974262 /nfs/dbraw/zinc/97/42/62/679974262.db2.gz FXBOZWKROMCQHC-HBNTYKKESA-N 1 2 350.379 -1.475 20 0 FAADLO NC(=O)NCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCO1 ZINC001065296888 680066106 /nfs/dbraw/zinc/06/61/06/680066106.db2.gz CIOXGEYJUDKZSQ-GMTAPVOTSA-N 1 2 350.379 -1.475 20 0 FAADLO NC(=O)NCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCO1 ZINC001065296888 680066102 /nfs/dbraw/zinc/06/61/02/680066102.db2.gz CIOXGEYJUDKZSQ-GMTAPVOTSA-N 1 2 350.379 -1.475 20 0 FAADLO NC(=O)NCC(=O)NC[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCO1 ZINC001065296889 680065961 /nfs/dbraw/zinc/06/59/61/680065961.db2.gz CIOXGEYJUDKZSQ-HBNTYKKESA-N 1 2 350.379 -1.475 20 0 FAADLO NC(=O)NCC(=O)NC[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCO1 ZINC001065296889 680065953 /nfs/dbraw/zinc/06/59/53/680065953.db2.gz CIOXGEYJUDKZSQ-HBNTYKKESA-N 1 2 350.379 -1.475 20 0 FAADLO CS(=O)(=O)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCO1 ZINC001065297158 680066202 /nfs/dbraw/zinc/06/62/02/680066202.db2.gz HHXXDLAYPQAPHP-IJLUTSLNSA-N 1 2 370.431 -1.099 20 0 FAADLO CS(=O)(=O)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCO1 ZINC001065297158 680066196 /nfs/dbraw/zinc/06/61/96/680066196.db2.gz HHXXDLAYPQAPHP-IJLUTSLNSA-N 1 2 370.431 -1.099 20 0 FAADLO CS(=O)(=O)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCO1 ZINC001065297159 680065920 /nfs/dbraw/zinc/06/59/20/680065920.db2.gz HHXXDLAYPQAPHP-QJPTWQEYSA-N 1 2 370.431 -1.099 20 0 FAADLO CS(=O)(=O)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCO1 ZINC001065297159 680065914 /nfs/dbraw/zinc/06/59/14/680065914.db2.gz HHXXDLAYPQAPHP-QJPTWQEYSA-N 1 2 370.431 -1.099 20 0 FAADLO COCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC001065680888 680068421 /nfs/dbraw/zinc/06/84/21/680068421.db2.gz OQUXTLCOYJMCOP-MCIONIFRSA-N 1 2 352.435 -1.111 20 0 FAADLO COCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC001065680890 680068347 /nfs/dbraw/zinc/06/83/47/680068347.db2.gz OQUXTLCOYJMCOP-MJBXVCDLSA-N 1 2 352.435 -1.111 20 0 FAADLO CCOCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC001065685502 680068409 /nfs/dbraw/zinc/06/84/09/680068409.db2.gz FHZCNFYJXIXLJD-MCIONIFRSA-N 1 2 352.435 -1.111 20 0 FAADLO CCOCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC001065685503 680068392 /nfs/dbraw/zinc/06/83/92/680068392.db2.gz FHZCNFYJXIXLJD-MJBXVCDLSA-N 1 2 352.435 -1.111 20 0 FAADLO CCOCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)CC1 ZINC001065712591 680068367 /nfs/dbraw/zinc/06/83/67/680068367.db2.gz ATQATDZVTXHCCP-MCIONIFRSA-N 1 2 352.435 -1.111 20 0 FAADLO CCOCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)CC1 ZINC001065712592 680068354 /nfs/dbraw/zinc/06/83/54/680068354.db2.gz ATQATDZVTXHCCP-MJBXVCDLSA-N 1 2 352.435 -1.111 20 0 FAADLO COCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)CC1 ZINC001065713598 680068363 /nfs/dbraw/zinc/06/83/63/680068363.db2.gz WEKMDMDTZQTUOG-MCIONIFRSA-N 1 2 352.435 -1.111 20 0 FAADLO COCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)CC1 ZINC001065713599 680068384 /nfs/dbraw/zinc/06/83/84/680068384.db2.gz WEKMDMDTZQTUOG-MJBXVCDLSA-N 1 2 352.435 -1.111 20 0 FAADLO O=C(N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1n1ccnn1)C(F)F ZINC001069886218 680077935 /nfs/dbraw/zinc/07/79/35/680077935.db2.gz RCHXIRDEBKOECV-BDAKNGLRSA-N 1 2 357.321 -1.564 20 0 FAADLO O=C(N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1n1ccnn1)C(F)F ZINC001069886218 680077933 /nfs/dbraw/zinc/07/79/33/680077933.db2.gz RCHXIRDEBKOECV-BDAKNGLRSA-N 1 2 357.321 -1.564 20 0 FAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C2=COCCO2)[C@@H](n2ccnn2)C1 ZINC001069892966 680078303 /nfs/dbraw/zinc/07/83/03/680078303.db2.gz YXPOTPLPFQZWSR-UTUOFQBUSA-N 1 2 350.379 -1.228 20 0 FAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C2=COCCO2)[C@@H](n2ccnn2)C1 ZINC001069892966 680078298 /nfs/dbraw/zinc/07/82/98/680078298.db2.gz YXPOTPLPFQZWSR-UTUOFQBUSA-N 1 2 350.379 -1.228 20 0 FAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C2=COCCO2)[C@@H](n2ccnn2)C1 ZINC001069892967 680078437 /nfs/dbraw/zinc/07/84/37/680078437.db2.gz YXPOTPLPFQZWSR-WOPDTQHZSA-N 1 2 350.379 -1.228 20 0 FAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C2=COCCO2)[C@@H](n2ccnn2)C1 ZINC001069892967 680078431 /nfs/dbraw/zinc/07/84/31/680078431.db2.gz YXPOTPLPFQZWSR-WOPDTQHZSA-N 1 2 350.379 -1.228 20 0 FAADLO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@@H]1n1ccnn1 ZINC001069894714 680078334 /nfs/dbraw/zinc/07/83/34/680078334.db2.gz IQQJGZCUSTWWLY-NEPJUHHUSA-N 1 2 360.407 -1.037 20 0 FAADLO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](Cc2cncs2)C[C@@H]1n1ccnn1 ZINC001069894714 680078330 /nfs/dbraw/zinc/07/83/30/680078330.db2.gz IQQJGZCUSTWWLY-NEPJUHHUSA-N 1 2 360.407 -1.037 20 0 FAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@@H]1n1ccnn1 ZINC001069929133 680079650 /nfs/dbraw/zinc/07/96/50/680079650.db2.gz WRBZPDWPSBLCED-NEPJUHHUSA-N 1 2 360.407 -1.037 20 0 FAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](Cc2cncs2)C[C@@H]1n1ccnn1 ZINC001069929133 680079647 /nfs/dbraw/zinc/07/96/47/680079647.db2.gz WRBZPDWPSBLCED-NEPJUHHUSA-N 1 2 360.407 -1.037 20 0 FAADLO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1n1ccnn1 ZINC001069949217 680080343 /nfs/dbraw/zinc/08/03/43/680080343.db2.gz KDLSZVOCQQAIFT-FNJFGRIQSA-N 1 2 367.797 -1.030 20 0 FAADLO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1n1ccnn1 ZINC001069949217 680080340 /nfs/dbraw/zinc/08/03/40/680080340.db2.gz KDLSZVOCQQAIFT-FNJFGRIQSA-N 1 2 367.797 -1.030 20 0 FAADLO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1n1ccnn1 ZINC001069949218 680080411 /nfs/dbraw/zinc/08/04/11/680080411.db2.gz KDLSZVOCQQAIFT-IMFSMGAGSA-N 1 2 367.797 -1.030 20 0 FAADLO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1n1ccnn1 ZINC001069949218 680080406 /nfs/dbraw/zinc/08/04/06/680080406.db2.gz KDLSZVOCQQAIFT-IMFSMGAGSA-N 1 2 367.797 -1.030 20 0 FAADLO COCC[N@H+]1C[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001069958560 680079992 /nfs/dbraw/zinc/07/99/92/680079992.db2.gz KJWPSKNZJRHQRT-APIJFGDWSA-N 1 2 352.439 -1.015 20 0 FAADLO COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001069958560 680079988 /nfs/dbraw/zinc/07/99/88/680079988.db2.gz KJWPSKNZJRHQRT-APIJFGDWSA-N 1 2 352.439 -1.015 20 0 FAADLO NS(=O)(=O)c1cc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)co1 ZINC001069959219 680079885 /nfs/dbraw/zinc/07/98/85/680079885.db2.gz KPKRQSJIYWWRAM-MNOVXSKESA-N 1 2 370.391 -1.834 20 0 FAADLO NS(=O)(=O)c1cc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)co1 ZINC001069959219 680079879 /nfs/dbraw/zinc/07/98/79/680079879.db2.gz KPKRQSJIYWWRAM-MNOVXSKESA-N 1 2 370.391 -1.834 20 0 FAADLO Cn1cnn(CC(=O)N[C@@H]2C[N@@H+](C/C=C\Cl)C[C@@H]2n2ccnn2)c1=O ZINC001069964451 680080870 /nfs/dbraw/zinc/08/08/70/680080870.db2.gz MZUWWPPRHFMGAA-DQOJRVPBSA-N 1 2 366.813 -1.033 20 0 FAADLO Cn1cnn(CC(=O)N[C@@H]2C[N@H+](C/C=C\Cl)C[C@@H]2n2ccnn2)c1=O ZINC001069964451 680080866 /nfs/dbraw/zinc/08/08/66/680080866.db2.gz MZUWWPPRHFMGAA-DQOJRVPBSA-N 1 2 366.813 -1.033 20 0 FAADLO Cn1cnn(CC(=O)N[C@@H]2C[N@@H+](C/C=C/Cl)C[C@@H]2n2ccnn2)c1=O ZINC001069964452 680080962 /nfs/dbraw/zinc/08/09/62/680080962.db2.gz MZUWWPPRHFMGAA-FQVTYBBZSA-N 1 2 366.813 -1.033 20 0 FAADLO Cn1cnn(CC(=O)N[C@@H]2C[N@H+](C/C=C/Cl)C[C@@H]2n2ccnn2)c1=O ZINC001069964452 680080960 /nfs/dbraw/zinc/08/09/60/680080960.db2.gz MZUWWPPRHFMGAA-FQVTYBBZSA-N 1 2 366.813 -1.033 20 0 FAADLO NS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)o1 ZINC001069968111 680080665 /nfs/dbraw/zinc/08/06/65/680080665.db2.gz HPBWPUICBFJCEF-ZJUUUORDSA-N 1 2 370.391 -1.834 20 0 FAADLO NS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)o1 ZINC001069968111 680080661 /nfs/dbraw/zinc/08/06/61/680080661.db2.gz HPBWPUICBFJCEF-ZJUUUORDSA-N 1 2 370.391 -1.834 20 0 FAADLO CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001069985775 680081490 /nfs/dbraw/zinc/08/14/90/680081490.db2.gz HNWCPOTXRPYSFS-WOPDTQHZSA-N 1 2 370.435 -2.057 20 0 FAADLO CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001069985775 680081486 /nfs/dbraw/zinc/08/14/86/680081486.db2.gz HNWCPOTXRPYSFS-WOPDTQHZSA-N 1 2 370.435 -2.057 20 0 FAADLO CC(C)[N@H+]1C[C@@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001069986005 680081508 /nfs/dbraw/zinc/08/15/08/680081508.db2.gz VBWCLHGWKJOHNI-WOPDTQHZSA-N 1 2 370.435 -2.059 20 0 FAADLO CC(C)[N@@H+]1C[C@@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001069986005 680081504 /nfs/dbraw/zinc/08/15/04/680081504.db2.gz VBWCLHGWKJOHNI-WOPDTQHZSA-N 1 2 370.435 -2.059 20 0 FAADLO O=C(CN1CCNC(=O)C1)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1n1ccnn1 ZINC001069995581 680081884 /nfs/dbraw/zinc/08/18/84/680081884.db2.gz NWMVXNZTYMADIN-FEAJGASRSA-N 1 2 367.841 -1.196 20 0 FAADLO O=C(CN1CCNC(=O)C1)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1n1ccnn1 ZINC001069995581 680081880 /nfs/dbraw/zinc/08/18/80/680081880.db2.gz NWMVXNZTYMADIN-FEAJGASRSA-N 1 2 367.841 -1.196 20 0 FAADLO O=C(CN1CCNC(=O)C1)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1n1ccnn1 ZINC001069995582 680082087 /nfs/dbraw/zinc/08/20/87/680082087.db2.gz NWMVXNZTYMADIN-XXUGLENDSA-N 1 2 367.841 -1.196 20 0 FAADLO O=C(CN1CCNC(=O)C1)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1n1ccnn1 ZINC001069995582 680082081 /nfs/dbraw/zinc/08/20/81/680082081.db2.gz NWMVXNZTYMADIN-XXUGLENDSA-N 1 2 367.841 -1.196 20 0 FAADLO O=C(N[C@@H]1C[N@@H+](Cc2cncs2)C[C@@H]1n1ccnn1)[C@@H]1CNC(=O)N1 ZINC001070011554 680081984 /nfs/dbraw/zinc/08/19/84/680081984.db2.gz JJBXDLYYZYTJFA-TUAOUCFPSA-N 1 2 362.419 -1.042 20 0 FAADLO O=C(N[C@@H]1C[N@H+](Cc2cncs2)C[C@@H]1n1ccnn1)[C@@H]1CNC(=O)N1 ZINC001070011554 680081981 /nfs/dbraw/zinc/08/19/81/680081981.db2.gz JJBXDLYYZYTJFA-TUAOUCFPSA-N 1 2 362.419 -1.042 20 0 FAADLO O=C(N[C@@H]1C[N@@H+](Cc2cncs2)C[C@@H]1n1ccnn1)[C@H]1CNC(=O)N1 ZINC001070011555 680081849 /nfs/dbraw/zinc/08/18/49/680081849.db2.gz JJBXDLYYZYTJFA-UTUOFQBUSA-N 1 2 362.419 -1.042 20 0 FAADLO O=C(N[C@@H]1C[N@H+](Cc2cncs2)C[C@@H]1n1ccnn1)[C@H]1CNC(=O)N1 ZINC001070011555 680081845 /nfs/dbraw/zinc/08/18/45/680081845.db2.gz JJBXDLYYZYTJFA-UTUOFQBUSA-N 1 2 362.419 -1.042 20 0 FAADLO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1n1ccnn1 ZINC001070013871 680082574 /nfs/dbraw/zinc/08/25/74/680082574.db2.gz KRBQAKYFLWLAMS-BDAKNGLRSA-N 1 2 350.339 -3.343 20 0 FAADLO NC(=O)C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1n1ccnn1 ZINC001070013871 680082567 /nfs/dbraw/zinc/08/25/67/680082567.db2.gz KRBQAKYFLWLAMS-BDAKNGLRSA-N 1 2 350.339 -3.343 20 0 FAADLO Cc1csc(=O)n1CC[N@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070013881 680082438 /nfs/dbraw/zinc/08/24/38/680082438.db2.gz LDWJGFMLUXAMJX-MNOVXSKESA-N 1 2 365.419 -1.663 20 0 FAADLO Cc1csc(=O)n1CC[N@@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070013881 680082434 /nfs/dbraw/zinc/08/24/34/680082434.db2.gz LDWJGFMLUXAMJX-MNOVXSKESA-N 1 2 365.419 -1.663 20 0 FAADLO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001070021206 680082932 /nfs/dbraw/zinc/08/29/32/680082932.db2.gz MMCBXCGNYYHJEC-ZJUUUORDSA-N 1 2 370.395 -2.704 20 0 FAADLO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001070021206 680082927 /nfs/dbraw/zinc/08/29/27/680082927.db2.gz MMCBXCGNYYHJEC-ZJUUUORDSA-N 1 2 370.395 -2.704 20 0 FAADLO CS(=O)(=O)CCN1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](n2ccnn2)C1 ZINC001070038117 680082957 /nfs/dbraw/zinc/08/29/57/680082957.db2.gz KJYDTSZLDAXAGJ-OLZOCXBDSA-N 1 2 367.435 -1.370 20 0 FAADLO O=C(N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1n1ccnn1)[C@@H]1CC(=O)NC(=O)N1 ZINC001070040761 680082873 /nfs/dbraw/zinc/08/28/73/680082873.db2.gz DYBWPHSFRUDHKN-FNJFGRIQSA-N 1 2 367.797 -1.030 20 0 FAADLO O=C(N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1n1ccnn1)[C@@H]1CC(=O)NC(=O)N1 ZINC001070040761 680082870 /nfs/dbraw/zinc/08/28/70/680082870.db2.gz DYBWPHSFRUDHKN-FNJFGRIQSA-N 1 2 367.797 -1.030 20 0 FAADLO O=C(N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1n1ccnn1)[C@@H]1CC(=O)NC(=O)N1 ZINC001070040762 680083226 /nfs/dbraw/zinc/08/32/26/680083226.db2.gz DYBWPHSFRUDHKN-IMFSMGAGSA-N 1 2 367.797 -1.030 20 0 FAADLO O=C(N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1n1ccnn1)[C@@H]1CC(=O)NC(=O)N1 ZINC001070040762 680083225 /nfs/dbraw/zinc/08/32/25/680083225.db2.gz DYBWPHSFRUDHKN-IMFSMGAGSA-N 1 2 367.797 -1.030 20 0 FAADLO CN1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)S1(=O)=O ZINC001070050633 680083745 /nfs/dbraw/zinc/08/37/45/680083745.db2.gz KMVGZLRSXPEJQW-GRYCIOLGSA-N 1 2 358.424 -2.354 20 0 FAADLO CN1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)S1(=O)=O ZINC001070050633 680083742 /nfs/dbraw/zinc/08/37/42/680083742.db2.gz KMVGZLRSXPEJQW-GRYCIOLGSA-N 1 2 358.424 -2.354 20 0 FAADLO CN1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)S1(=O)=O ZINC001070050634 680083467 /nfs/dbraw/zinc/08/34/67/680083467.db2.gz KMVGZLRSXPEJQW-WOPDTQHZSA-N 1 2 358.424 -2.354 20 0 FAADLO CN1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)S1(=O)=O ZINC001070050634 680083461 /nfs/dbraw/zinc/08/34/61/680083461.db2.gz KMVGZLRSXPEJQW-WOPDTQHZSA-N 1 2 358.424 -2.354 20 0 FAADLO O=C(CN1CC(=O)NC1=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1n1ccnn1 ZINC001070055861 680083794 /nfs/dbraw/zinc/08/37/94/680083794.db2.gz UNKLZOFJTLRKGJ-OIDVMBJGSA-N 1 2 367.797 -1.076 20 0 FAADLO O=C(CN1CC(=O)NC1=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1n1ccnn1 ZINC001070055861 680083793 /nfs/dbraw/zinc/08/37/93/680083793.db2.gz UNKLZOFJTLRKGJ-OIDVMBJGSA-N 1 2 367.797 -1.076 20 0 FAADLO O=C(CN1CC(=O)NC1=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1n1ccnn1 ZINC001070055862 680083608 /nfs/dbraw/zinc/08/36/08/680083608.db2.gz UNKLZOFJTLRKGJ-OVVPUXAQSA-N 1 2 367.797 -1.076 20 0 FAADLO O=C(CN1CC(=O)NC1=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1n1ccnn1 ZINC001070055862 680083604 /nfs/dbraw/zinc/08/36/04/680083604.db2.gz UNKLZOFJTLRKGJ-OVVPUXAQSA-N 1 2 367.797 -1.076 20 0 FAADLO CS(=O)(=O)CCN1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](n2ccnn2)C1 ZINC001070062940 680084125 /nfs/dbraw/zinc/08/41/25/680084125.db2.gz LIXJFYZNXASLLD-NEPJUHHUSA-N 1 2 367.435 -1.370 20 0 FAADLO O=C(CN1C(=O)CNC1=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1n1ccnn1 ZINC001070091347 680085101 /nfs/dbraw/zinc/08/51/01/680085101.db2.gz GVLVPYKSARDJEX-OIDVMBJGSA-N 1 2 367.797 -1.076 20 0 FAADLO O=C(CN1C(=O)CNC1=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1n1ccnn1 ZINC001070091347 680085095 /nfs/dbraw/zinc/08/50/95/680085095.db2.gz GVLVPYKSARDJEX-OIDVMBJGSA-N 1 2 367.797 -1.076 20 0 FAADLO O=C(CN1C(=O)CNC1=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1n1ccnn1 ZINC001070091348 680084733 /nfs/dbraw/zinc/08/47/33/680084733.db2.gz GVLVPYKSARDJEX-OVVPUXAQSA-N 1 2 367.797 -1.076 20 0 FAADLO O=C(CN1C(=O)CNC1=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1n1ccnn1 ZINC001070091348 680084728 /nfs/dbraw/zinc/08/47/28/680084728.db2.gz GVLVPYKSARDJEX-OVVPUXAQSA-N 1 2 367.797 -1.076 20 0 FAADLO CC(C)[N@H+]1C[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@@H](n2ccnn2)C1 ZINC001070094940 680084781 /nfs/dbraw/zinc/08/47/81/680084781.db2.gz MJJPWXLACOAWGE-KGLIPLIRSA-N 1 2 370.479 -1.242 20 0 FAADLO CC(C)[N@@H+]1C[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@@H](n2ccnn2)C1 ZINC001070094940 680084777 /nfs/dbraw/zinc/08/47/77/680084777.db2.gz MJJPWXLACOAWGE-KGLIPLIRSA-N 1 2 370.479 -1.242 20 0 FAADLO CCC[N@H+]1C[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@@H](n2ccnn2)C1 ZINC001070095036 680084753 /nfs/dbraw/zinc/08/47/53/680084753.db2.gz RGTHTLKXLCQHKE-KGLIPLIRSA-N 1 2 370.479 -1.240 20 0 FAADLO CCC[N@@H+]1C[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@@H](n2ccnn2)C1 ZINC001070095036 680084747 /nfs/dbraw/zinc/08/47/47/680084747.db2.gz RGTHTLKXLCQHKE-KGLIPLIRSA-N 1 2 370.479 -1.240 20 0 FAADLO CS(=O)(=O)CCN1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001070109377 680085380 /nfs/dbraw/zinc/08/53/80/680085380.db2.gz UQCLRXHUEKRVRG-OLZOCXBDSA-N 1 2 367.435 -1.439 20 0 FAADLO Cn1[nH]c(C[NH2+][C@@H]2CN(C(=O)C(C)(C)F)C[C@@H]2n2ccnn2)nc1=O ZINC001070122553 680086626 /nfs/dbraw/zinc/08/66/26/680086626.db2.gz ALTWGQUZSKZVEW-ZJUUUORDSA-N 1 2 352.374 -1.010 20 0 FAADLO Cn1[nH]c(C[NH2+][C@@H]2CN(C(=O)C(C)(F)F)C[C@@H]2n2ccnn2)nc1=O ZINC001070124772 680086466 /nfs/dbraw/zinc/08/64/66/680086466.db2.gz YRWGFYAGTHYWPX-BDAKNGLRSA-N 1 2 356.337 -1.103 20 0 FAADLO CSCC(=O)N1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)[C@@H](n2ccnn2)C1 ZINC001070133180 680087133 /nfs/dbraw/zinc/08/71/33/680087133.db2.gz KKYHNNOMMHKKGS-ZJUUUORDSA-N 1 2 352.424 -1.395 20 0 FAADLO O=C(Cn1cnnn1)N1C[C@@H]([NH2+]Cc2nccs2)[C@@H](n2ccnn2)C1 ZINC001070137549 680087202 /nfs/dbraw/zinc/08/72/02/680087202.db2.gz OCHIWGYXTYVBOR-MNOVXSKESA-N 1 2 360.407 -1.037 20 0 FAADLO O=C(Cn1cnnn1)N1C[C@@H]([NH2+]Cc2cnns2)[C@@H](n2ccnn2)C1 ZINC001070137648 680087153 /nfs/dbraw/zinc/08/71/53/680087153.db2.gz SKIGJLIJUAMMLR-MNOVXSKESA-N 1 2 361.395 -1.642 20 0 FAADLO O=C(Cn1cnnn1)N1C[C@@H]([NH2+]Cc2cscn2)[C@@H](n2ccnn2)C1 ZINC001070137730 680086919 /nfs/dbraw/zinc/08/69/19/680086919.db2.gz XOCKHPPONQZFQQ-NEPJUHHUSA-N 1 2 360.407 -1.037 20 0 FAADLO CS[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)[C@@H](n2ccnn2)C1 ZINC001070144382 680086897 /nfs/dbraw/zinc/08/68/97/680086897.db2.gz HYRXKUBCWDDRLG-AXFHLTTASA-N 1 2 366.451 -1.007 20 0 FAADLO CS[C@H](C)C(=O)N1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)[C@@H](n2ccnn2)C1 ZINC001070144383 680087191 /nfs/dbraw/zinc/08/71/91/680087191.db2.gz HYRXKUBCWDDRLG-MXWKQRLJSA-N 1 2 366.451 -1.007 20 0 FAADLO CO[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)[C@@H](n2ccnn2)C1 ZINC001070150604 680087447 /nfs/dbraw/zinc/08/74/47/680087447.db2.gz SHPJBZLDDYOMJP-AXFHLTTASA-N 1 2 350.383 -1.724 20 0 FAADLO CO[C@H](C)C(=O)N1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)[C@@H](n2ccnn2)C1 ZINC001070150605 680087727 /nfs/dbraw/zinc/08/77/27/680087727.db2.gz SHPJBZLDDYOMJP-MXWKQRLJSA-N 1 2 350.383 -1.724 20 0 FAADLO CS(=O)(=O)CC(=O)N1C[C@@H]([NH2+]Cc2cnns2)[C@@H](n2ccnn2)C1 ZINC001070153051 680087474 /nfs/dbraw/zinc/08/74/74/680087474.db2.gz CIVDLQUEIIRZGL-MNOVXSKESA-N 1 2 371.448 -1.284 20 0 FAADLO Cn1ccnc1C[NH2+][C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001070153113 680087651 /nfs/dbraw/zinc/08/76/51/680087651.db2.gz FXCXBYIBQFMUJI-NEPJUHHUSA-N 1 2 367.435 -1.402 20 0 FAADLO Cn1ccc(C[NH2+][C@@H]2CN(C(=O)CS(C)(=O)=O)C[C@@H]2n2ccnn2)n1 ZINC001070153130 680087633 /nfs/dbraw/zinc/08/76/33/680087633.db2.gz GLBUZTKWSVOHCS-OLZOCXBDSA-N 1 2 367.435 -1.402 20 0 FAADLO O=C([C@H]1CCC(=O)N1)N1C[C@@H]([NH2+]Cc2cnns2)[C@@H](n2ccnn2)C1 ZINC001070158233 680087679 /nfs/dbraw/zinc/08/76/79/680087679.db2.gz BPTMRSRJUNROTG-UTUOFQBUSA-N 1 2 362.419 -1.050 20 0 FAADLO Cc1nnc(C[NH2+][C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2n2ccnn2)s1 ZINC001070161839 680088159 /nfs/dbraw/zinc/08/81/59/680088159.db2.gz 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/nfs/dbraw/zinc/55/62/76/679556276.db2.gz RAPSVZVDSKSGCL-HBNTYKKESA-N 1 2 368.415 -1.572 20 0 FAADLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@H]2O)n(C)n1 ZINC001076784913 679556262 /nfs/dbraw/zinc/55/62/62/679556262.db2.gz KTJIUBGCOZIGOD-TZMCWYRMSA-N 1 2 371.463 -1.461 20 0 FAADLO Cc1cc(C(=O)N[C@@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@H]2O)n(C)n1 ZINC001076784913 679556260 /nfs/dbraw/zinc/55/62/60/679556260.db2.gz KTJIUBGCOZIGOD-TZMCWYRMSA-N 1 2 371.463 -1.461 20 0 FAADLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@H]2O)nn1C ZINC001076786231 679556423 /nfs/dbraw/zinc/55/64/23/679556423.db2.gz PSTQTEDLQVJTIM-ZIAGYGMSSA-N 1 2 371.463 -1.461 20 0 FAADLO Cc1cc(C(=O)N[C@@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@H]2O)nn1C ZINC001076786231 679556418 /nfs/dbraw/zinc/55/64/18/679556418.db2.gz PSTQTEDLQVJTIM-ZIAGYGMSSA-N 1 2 371.463 -1.461 20 0 FAADLO Cc1cnn(CC(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]2O)c1 ZINC001076787216 679556735 /nfs/dbraw/zinc/55/67/35/679556735.db2.gz IZROJNDMCJKLIN-BFHYXJOUSA-N 1 2 356.448 -1.212 20 0 FAADLO Cc1cnn(CC(=O)N[C@@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]2O)c1 ZINC001076787216 679556730 /nfs/dbraw/zinc/55/67/30/679556730.db2.gz IZROJNDMCJKLIN-BFHYXJOUSA-N 1 2 356.448 -1.212 20 0 FAADLO Cc1cnn(CC(=O)N[C@@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]2O)c1 ZINC001076787217 679557009 /nfs/dbraw/zinc/55/70/09/679557009.db2.gz IZROJNDMCJKLIN-MGPQQGTHSA-N 1 2 356.448 -1.212 20 0 FAADLO Cc1cnn(CC(=O)N[C@@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]2O)c1 ZINC001076787217 679557005 /nfs/dbraw/zinc/55/70/05/679557005.db2.gz IZROJNDMCJKLIN-MGPQQGTHSA-N 1 2 356.448 -1.212 20 0 FAADLO Cc1cnn(CC(=O)N[C@@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@H]2O)c1 ZINC001076787335 679556919 /nfs/dbraw/zinc/55/69/19/679556919.db2.gz PFXBEZMHOGIFLU-ZIAGYGMSSA-N 1 2 371.463 -1.612 20 0 FAADLO Cc1cnn(CC(=O)N[C@@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@H]2O)c1 ZINC001076787335 679556915 /nfs/dbraw/zinc/55/69/15/679556915.db2.gz PFXBEZMHOGIFLU-ZIAGYGMSSA-N 1 2 371.463 -1.612 20 0 FAADLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]2O)nn1C ZINC001076787469 679556960 /nfs/dbraw/zinc/55/69/60/679556960.db2.gz VVJMPRXZFQEGID-VXGBXAGGSA-N 1 2 350.379 -1.945 20 0 FAADLO Cc1cc(C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]2O)nn1C ZINC001076787469 679556955 /nfs/dbraw/zinc/55/69/55/679556955.db2.gz VVJMPRXZFQEGID-VXGBXAGGSA-N 1 2 350.379 -1.945 20 0 FAADLO Cn1cc(CC(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]2O)cn1 ZINC001076790897 679557041 /nfs/dbraw/zinc/55/70/41/679557041.db2.gz WVLSMNUXDOMWJD-ZIAGYGMSSA-N 1 2 351.407 -2.017 20 0 FAADLO Cn1cc(CC(=O)N[C@@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]2O)cn1 ZINC001076790897 679557038 /nfs/dbraw/zinc/55/70/38/679557038.db2.gz WVLSMNUXDOMWJD-ZIAGYGMSSA-N 1 2 351.407 -2.017 20 0 FAADLO Cn1c(=O)cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCOC3)C2)n(C)c1=O ZINC001076795229 679557113 /nfs/dbraw/zinc/55/71/13/679557113.db2.gz MFYBGVKFMKXUJB-CYZMBNFOSA-N 1 2 352.391 -2.218 20 0 FAADLO Cn1c(=O)cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCOC3)C2)n(C)c1=O ZINC001076795229 679557111 /nfs/dbraw/zinc/55/71/11/679557111.db2.gz MFYBGVKFMKXUJB-CYZMBNFOSA-N 1 2 352.391 -2.218 20 0 FAADLO Cn1c(=O)cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCOC3)C2)n(C)c1=O ZINC001076795230 679556792 /nfs/dbraw/zinc/55/67/92/679556792.db2.gz MFYBGVKFMKXUJB-RAIGVLPGSA-N 1 2 352.391 -2.218 20 0 FAADLO Cn1c(=O)cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCOC3)C2)n(C)c1=O ZINC001076795230 679556789 /nfs/dbraw/zinc/55/67/89/679556789.db2.gz MFYBGVKFMKXUJB-RAIGVLPGSA-N 1 2 352.391 -2.218 20 0 FAADLO O=C(N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O)c1ccnc(F)c1 ZINC001076796610 679557105 /nfs/dbraw/zinc/55/71/05/679557105.db2.gz VOZFHURYRMEFAH-GHMZBOCLSA-N 1 2 351.338 -1.453 20 0 FAADLO O=C(N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O)c1ccnc(F)c1 ZINC001076796610 679557103 /nfs/dbraw/zinc/55/71/03/679557103.db2.gz VOZFHURYRMEFAH-GHMZBOCLSA-N 1 2 351.338 -1.453 20 0 FAADLO Cn1nccc1C(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001076799082 679557069 /nfs/dbraw/zinc/55/70/69/679557069.db2.gz FPHCCDJTMXLXNY-DGCLKSJQSA-N 1 2 357.436 -1.770 20 0 FAADLO Cn1nccc1C(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001076799082 679557065 /nfs/dbraw/zinc/55/70/65/679557065.db2.gz FPHCCDJTMXLXNY-DGCLKSJQSA-N 1 2 357.436 -1.770 20 0 FAADLO Cc1ncc(C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]2O)s1 ZINC001076799368 679557051 /nfs/dbraw/zinc/55/70/51/679557051.db2.gz UZDMFWPNDJZDKH-NXEZZACHSA-N 1 2 353.404 -1.222 20 0 FAADLO Cc1ncc(C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]2O)s1 ZINC001076799368 679557047 /nfs/dbraw/zinc/55/70/47/679557047.db2.gz UZDMFWPNDJZDKH-NXEZZACHSA-N 1 2 353.404 -1.222 20 0 FAADLO Cn1cc(CC(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]2O)cn1 ZINC001076799624 679556696 /nfs/dbraw/zinc/55/66/96/679556696.db2.gz AXQUKVIXAMKHRD-BPLDGKMQSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1cc(CC(=O)N[C@@H]2C[N@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]2O)cn1 ZINC001076799624 679556695 /nfs/dbraw/zinc/55/66/95/679556695.db2.gz AXQUKVIXAMKHRD-BPLDGKMQSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1cc(CC(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]2O)cn1 ZINC001076799627 679556719 /nfs/dbraw/zinc/55/67/19/679556719.db2.gz AXQUKVIXAMKHRD-NWANDNLSSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1cc(CC(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]2O)cn1 ZINC001076799627 679556716 /nfs/dbraw/zinc/55/67/16/679556716.db2.gz AXQUKVIXAMKHRD-NWANDNLSSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1cc(CC(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]2O)cn1 ZINC001076799948 679556896 /nfs/dbraw/zinc/55/68/96/679556896.db2.gz IFLMWQGQAYXHIJ-IACUBPJLSA-N 1 2 356.448 -1.441 20 0 FAADLO Cn1cc(CC(=O)N[C@@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]2O)cn1 ZINC001076799948 679556894 /nfs/dbraw/zinc/55/68/94/679556894.db2.gz IFLMWQGQAYXHIJ-IACUBPJLSA-N 1 2 356.448 -1.441 20 0 FAADLO Cn1cc(CC(=O)N[C@@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]2O)cn1 ZINC001076799949 679556772 /nfs/dbraw/zinc/55/67/72/679556772.db2.gz IFLMWQGQAYXHIJ-MRVWCRGKSA-N 1 2 356.448 -1.441 20 0 FAADLO Cn1cc(CC(=O)N[C@@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]2O)cn1 ZINC001076799949 679556768 /nfs/dbraw/zinc/55/67/68/679556768.db2.gz IFLMWQGQAYXHIJ-MRVWCRGKSA-N 1 2 356.448 -1.441 20 0 FAADLO Cn1cc(CC(=O)N[C@@H]2C[N@@H+](CC3CCS(=O)(=O)CC3)C[C@H]2O)cn1 ZINC001076799975 679556780 /nfs/dbraw/zinc/55/67/80/679556780.db2.gz IYBCFEDIGQSSCY-HUUCEWRRSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1cc(CC(=O)N[C@@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]2O)cn1 ZINC001076799975 679556776 /nfs/dbraw/zinc/55/67/76/679556776.db2.gz IYBCFEDIGQSSCY-HUUCEWRRSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1cc(CC(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]2O)cn1 ZINC001076800160 679556948 /nfs/dbraw/zinc/55/69/48/679556948.db2.gz NPGCCVHXDYQUOI-BPLDGKMQSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1cc(CC(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]2O)cn1 ZINC001076800160 679556943 /nfs/dbraw/zinc/55/69/43/679556943.db2.gz NPGCCVHXDYQUOI-BPLDGKMQSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1cc(CC(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]2O)cn1 ZINC001076800161 679556979 /nfs/dbraw/zinc/55/69/79/679556979.db2.gz NPGCCVHXDYQUOI-NWANDNLSSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1cc(CC(=O)N[C@@H]2C[N@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]2O)cn1 ZINC001076800161 679556976 /nfs/dbraw/zinc/55/69/76/679556976.db2.gz NPGCCVHXDYQUOI-NWANDNLSSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1cc(CC(=O)N[C@@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@H]2O)cn1 ZINC001076800476 679556759 /nfs/dbraw/zinc/55/67/59/679556759.db2.gz SQRGJHSLIRNWNT-ZIAGYGMSSA-N 1 2 371.463 -1.841 20 0 FAADLO Cn1cc(CC(=O)N[C@@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@H]2O)cn1 ZINC001076800476 679556755 /nfs/dbraw/zinc/55/67/55/679556755.db2.gz SQRGJHSLIRNWNT-ZIAGYGMSSA-N 1 2 371.463 -1.841 20 0 FAADLO O=C(N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O)C1=COCCC1 ZINC001076801630 679557303 /nfs/dbraw/zinc/55/73/03/679557303.db2.gz SALQRUFLQIAWOD-ZIAGYGMSSA-N 1 2 359.448 -1.123 20 0 FAADLO O=C(N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O)C1=COCCC1 ZINC001076801630 679557299 /nfs/dbraw/zinc/55/72/99/679557299.db2.gz SALQRUFLQIAWOD-ZIAGYGMSSA-N 1 2 359.448 -1.123 20 0 FAADLO O=C(N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O)[C@H]1CCCOC1 ZINC001076802405 679557537 /nfs/dbraw/zinc/55/75/37/679557537.db2.gz HBBAKGZGBXPEHQ-BFHYXJOUSA-N 1 2 361.464 -1.390 20 0 FAADLO O=C(N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O)[C@H]1CCCOC1 ZINC001076802405 679557533 /nfs/dbraw/zinc/55/75/33/679557533.db2.gz HBBAKGZGBXPEHQ-BFHYXJOUSA-N 1 2 361.464 -1.390 20 0 FAADLO O=C(N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O)[C@@H]1CCCOC1 ZINC001076802406 679557334 /nfs/dbraw/zinc/55/73/34/679557334.db2.gz HBBAKGZGBXPEHQ-MGPQQGTHSA-N 1 2 361.464 -1.390 20 0 FAADLO O=C(N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O)[C@@H]1CCCOC1 ZINC001076802406 679557330 /nfs/dbraw/zinc/55/73/30/679557330.db2.gz HBBAKGZGBXPEHQ-MGPQQGTHSA-N 1 2 361.464 -1.390 20 0 FAADLO O=C(N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O)c1cscn1 ZINC001076804689 679557508 /nfs/dbraw/zinc/55/75/08/679557508.db2.gz VQPGZMPJMVHTJX-ZYHUDNBSSA-N 1 2 360.461 -1.047 20 0 FAADLO O=C(N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O)c1cscn1 ZINC001076804689 679557502 /nfs/dbraw/zinc/55/75/02/679557502.db2.gz VQPGZMPJMVHTJX-ZYHUDNBSSA-N 1 2 360.461 -1.047 20 0 FAADLO O=C(N[C@@H]1C[N@@H+](C[C@@H](O)CN2C(=O)CCC2=O)C[C@H]1O)c1cocn1 ZINC001076808602 679557474 /nfs/dbraw/zinc/55/74/74/679557474.db2.gz LCLKJXZJEFQVKR-CKYFFXLPSA-N 1 2 352.347 -2.041 20 0 FAADLO O=C(N[C@@H]1C[N@H+](C[C@@H](O)CN2C(=O)CCC2=O)C[C@H]1O)c1cocn1 ZINC001076808602 679557468 /nfs/dbraw/zinc/55/74/68/679557468.db2.gz LCLKJXZJEFQVKR-CKYFFXLPSA-N 1 2 352.347 -2.041 20 0 FAADLO O=C(N[C@@H]1C[N@@H+](C[C@H](O)CN2C(=O)CCC2=O)C[C@H]1O)c1cocn1 ZINC001076808603 679557460 /nfs/dbraw/zinc/55/74/60/679557460.db2.gz LCLKJXZJEFQVKR-HOSYDEDBSA-N 1 2 352.347 -2.041 20 0 FAADLO O=C(N[C@@H]1C[N@H+](C[C@H](O)CN2C(=O)CCC2=O)C[C@H]1O)c1cocn1 ZINC001076808603 679557457 /nfs/dbraw/zinc/55/74/57/679557457.db2.gz LCLKJXZJEFQVKR-HOSYDEDBSA-N 1 2 352.347 -2.041 20 0 FAADLO O=C(C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(=O)N2)C1)N1CCCCCC1 ZINC001076809365 679557430 /nfs/dbraw/zinc/55/74/30/679557430.db2.gz AGSBNAOYIFAHPM-MGPQQGTHSA-N 1 2 352.435 -1.171 20 0 FAADLO O=C(C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(=O)N2)C1)N1CCCCCC1 ZINC001076809365 679557427 /nfs/dbraw/zinc/55/74/27/679557427.db2.gz AGSBNAOYIFAHPM-MGPQQGTHSA-N 1 2 352.435 -1.171 20 0 FAADLO CC1CCN(C(=O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)CC1 ZINC001076809396 679557562 /nfs/dbraw/zinc/55/75/62/679557562.db2.gz ANHSZICAEAASPU-MGPQQGTHSA-N 1 2 352.435 -1.315 20 0 FAADLO CC1CCN(C(=O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)CC1 ZINC001076809396 679557559 /nfs/dbraw/zinc/55/75/59/679557559.db2.gz ANHSZICAEAASPU-MGPQQGTHSA-N 1 2 352.435 -1.315 20 0 FAADLO CC1(C)NC(=O)N(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cocn3)C2)C1=O ZINC001076809513 679557451 /nfs/dbraw/zinc/55/74/51/679557451.db2.gz 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369.447 -1.405 20 0 FAADLO Cc1cc(C(=O)N[C@@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@H]2O)ncn1 ZINC001076893170 679561621 /nfs/dbraw/zinc/56/16/21/679561621.db2.gz JKMLRTVYJGSXLY-ZIAGYGMSSA-N 1 2 369.447 -1.405 20 0 FAADLO Cn1c(=O)cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC3(C)C)C2)n(C)c1=O ZINC001076897179 679561687 /nfs/dbraw/zinc/56/16/87/679561687.db2.gz IJFIXUNWUTXCBM-JHJVBQTASA-N 1 2 350.419 -1.209 20 0 FAADLO Cn1c(=O)cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC3(C)C)C2)n(C)c1=O ZINC001076897179 679561684 /nfs/dbraw/zinc/56/16/84/679561684.db2.gz IJFIXUNWUTXCBM-JHJVBQTASA-N 1 2 350.419 -1.209 20 0 FAADLO Cn1c(=O)cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC3(C)C)C2)n(C)c1=O ZINC001076897180 679561869 /nfs/dbraw/zinc/56/18/69/679561869.db2.gz IJFIXUNWUTXCBM-YNEHKIRRSA-N 1 2 350.419 -1.209 20 0 FAADLO Cn1c(=O)cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC3(C)C)C2)n(C)c1=O ZINC001076897180 679561864 /nfs/dbraw/zinc/56/18/64/679561864.db2.gz IJFIXUNWUTXCBM-YNEHKIRRSA-N 1 2 350.419 -1.209 20 0 FAADLO 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CC(C)N1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CN3CCOCC3)C2)C1=O ZINC001076904333 679563033 /nfs/dbraw/zinc/56/30/33/679563033.db2.gz ZADHBKKDHXPZGU-RBSFLKMASA-N 1 2 354.451 -1.511 20 0 FAADLO CC(C)N1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CN3CCOCC3)C2)C1=O ZINC001076904333 679563029 /nfs/dbraw/zinc/56/30/29/679563029.db2.gz ZADHBKKDHXPZGU-RBSFLKMASA-N 1 2 354.451 -1.511 20 0 FAADLO O=C(CN1CN=NC1=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1O ZINC001076904454 679562714 /nfs/dbraw/zinc/56/27/14/679562714.db2.gz FFZFISHTKFXYQS-VXGBXAGGSA-N 1 2 352.395 -1.843 20 0 FAADLO O=C(CN1CN=NC1=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1O ZINC001076904454 679562712 /nfs/dbraw/zinc/56/27/12/679562712.db2.gz FFZFISHTKFXYQS-VXGBXAGGSA-N 1 2 352.395 -1.843 20 0 FAADLO O=C(CN1CN=NC1=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001076904653 679563274 /nfs/dbraw/zinc/56/32/74/679563274.db2.gz NOBZKBFHOHDHLT-GHMZBOCLSA-N 1 2 354.367 -2.996 20 0 FAADLO O=C(CN1CN=NC1=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1O 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/nfs/dbraw/zinc/56/55/17/679565517.db2.gz RWMNKPJQBHTVGH-MRVWCRGKSA-N 1 2 359.448 -1.939 20 0 FAADLO Cn1nccc1CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001076935596 679565187 /nfs/dbraw/zinc/56/51/87/679565187.db2.gz FZUDKKSHLWQALP-ZIAGYGMSSA-N 1 2 351.407 -2.017 20 0 FAADLO Cn1nccc1CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001076935596 679565181 /nfs/dbraw/zinc/56/51/81/679565181.db2.gz FZUDKKSHLWQALP-ZIAGYGMSSA-N 1 2 351.407 -2.017 20 0 FAADLO Cn1nccc1CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1O ZINC001076935699 679565057 /nfs/dbraw/zinc/56/50/57/679565057.db2.gz JOLZVPTYPGVDIE-BPLDGKMQSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1nccc1CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1O ZINC001076935699 679565052 /nfs/dbraw/zinc/56/50/52/679565052.db2.gz JOLZVPTYPGVDIE-BPLDGKMQSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1nccc1CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1O ZINC001076935700 679565356 /nfs/dbraw/zinc/56/53/56/679565356.db2.gz JOLZVPTYPGVDIE-NWANDNLSSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1nccc1CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1O ZINC001076935700 679565354 /nfs/dbraw/zinc/56/53/54/679565354.db2.gz JOLZVPTYPGVDIE-NWANDNLSSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1nccc1CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001076935836 679565234 /nfs/dbraw/zinc/56/52/34/679565234.db2.gz QTAFXIFALVXUII-IACUBPJLSA-N 1 2 356.448 -1.441 20 0 FAADLO Cn1nccc1CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001076935836 679565231 /nfs/dbraw/zinc/56/52/31/679565231.db2.gz QTAFXIFALVXUII-IACUBPJLSA-N 1 2 356.448 -1.441 20 0 FAADLO Cn1nccc1CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001076935837 679565162 /nfs/dbraw/zinc/56/51/62/679565162.db2.gz QTAFXIFALVXUII-MRVWCRGKSA-N 1 2 356.448 -1.441 20 0 FAADLO Cn1nccc1CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001076935837 679565157 /nfs/dbraw/zinc/56/51/57/679565157.db2.gz QTAFXIFALVXUII-MRVWCRGKSA-N 1 2 356.448 -1.441 20 0 FAADLO Cn1nccc1CC(=O)N[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1O ZINC001076935876 679565336 /nfs/dbraw/zinc/56/53/36/679565336.db2.gz SMVSUXUMKXNOBJ-HUUCEWRRSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1nccc1CC(=O)N[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1O ZINC001076935876 679565334 /nfs/dbraw/zinc/56/53/34/679565334.db2.gz SMVSUXUMKXNOBJ-HUUCEWRRSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1nccc1CC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001076935919 679565280 /nfs/dbraw/zinc/56/52/80/679565280.db2.gz VKGGKPTXXPNUNK-BPLDGKMQSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1nccc1CC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001076935919 679565275 /nfs/dbraw/zinc/56/52/75/679565275.db2.gz VKGGKPTXXPNUNK-BPLDGKMQSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1nccc1CC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001076935920 679565104 /nfs/dbraw/zinc/56/51/04/679565104.db2.gz VKGGKPTXXPNUNK-NWANDNLSSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1nccc1CC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001076935920 679565101 /nfs/dbraw/zinc/56/51/01/679565101.db2.gz VKGGKPTXXPNUNK-NWANDNLSSA-N 1 2 370.475 -1.051 20 0 FAADLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]2O)ns1 ZINC001076935962 679565028 /nfs/dbraw/zinc/56/50/28/679565028.db2.gz XTTRZNJJTNMVJY-GHMZBOCLSA-N 1 2 353.404 -1.222 20 0 FAADLO Cc1cc(C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]2O)ns1 ZINC001076935962 679565026 /nfs/dbraw/zinc/56/50/26/679565026.db2.gz XTTRZNJJTNMVJY-GHMZBOCLSA-N 1 2 353.404 -1.222 20 0 FAADLO Cn1nccc1CC(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001076935998 679565143 /nfs/dbraw/zinc/56/51/43/679565143.db2.gz ZJMROZGYBRDSAJ-ZIAGYGMSSA-N 1 2 371.463 -1.841 20 0 FAADLO Cn1nccc1CC(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001076935998 679565139 /nfs/dbraw/zinc/56/51/39/679565139.db2.gz ZJMROZGYBRDSAJ-ZIAGYGMSSA-N 1 2 371.463 -1.841 20 0 FAADLO CCn1ccnc1C(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001076936883 679565364 /nfs/dbraw/zinc/56/53/64/679565364.db2.gz OCXZSXXGGPSKMM-CHWSQXEVSA-N 1 2 371.463 -1.287 20 0 FAADLO CCn1ccnc1C(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001076936883 679565363 /nfs/dbraw/zinc/56/53/63/679565363.db2.gz OCXZSXXGGPSKMM-CHWSQXEVSA-N 1 2 371.463 -1.287 20 0 FAADLO O=C(Cc1cncnc1)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001076938191 679565643 /nfs/dbraw/zinc/56/56/43/679565643.db2.gz QXHFKFRAIDKCEF-ZIAGYGMSSA-N 1 2 369.447 -1.784 20 0 FAADLO O=C(Cc1cncnc1)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001076938191 679565638 /nfs/dbraw/zinc/56/56/38/679565638.db2.gz QXHFKFRAIDKCEF-ZIAGYGMSSA-N 1 2 369.447 -1.784 20 0 FAADLO O=C(Cc1cncnc1)N[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001076938365 679565532 /nfs/dbraw/zinc/56/55/32/679565532.db2.gz ZMBXJEVCYAYXRF-IACUBPJLSA-N 1 2 354.432 -1.385 20 0 FAADLO O=C(Cc1cncnc1)N[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001076938365 679565530 /nfs/dbraw/zinc/56/55/30/679565530.db2.gz ZMBXJEVCYAYXRF-IACUBPJLSA-N 1 2 354.432 -1.385 20 0 FAADLO O=C(Cc1cncnc1)N[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001076938366 679565845 /nfs/dbraw/zinc/56/58/45/679565845.db2.gz ZMBXJEVCYAYXRF-MRVWCRGKSA-N 1 2 354.432 -1.385 20 0 FAADLO O=C(Cc1cncnc1)N[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001076938366 679565844 /nfs/dbraw/zinc/56/58/44/679565844.db2.gz ZMBXJEVCYAYXRF-MRVWCRGKSA-N 1 2 354.432 -1.385 20 0 FAADLO Cc1ccnc(C(=O)N[C@@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@H]2O)n1 ZINC001076939811 679565778 /nfs/dbraw/zinc/56/57/78/679565778.db2.gz XIYPTHUXGHWCKX-CHWSQXEVSA-N 1 2 369.447 -1.405 20 0 FAADLO Cc1ccnc(C(=O)N[C@@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@H]2O)n1 ZINC001076939811 679565776 /nfs/dbraw/zinc/56/57/76/679565776.db2.gz XIYPTHUXGHWCKX-CHWSQXEVSA-N 1 2 369.447 -1.405 20 0 FAADLO O=C(C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CCC(O)CC2)C1)N1CCOCC1 ZINC001076939862 679565562 /nfs/dbraw/zinc/56/55/62/679565562.db2.gz ZCMFYBAJHAOSAC-NEXFUWMNSA-N 1 2 355.435 -1.442 20 0 FAADLO O=C(C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCC(O)CC2)C1)N1CCOCC1 ZINC001076939862 679565558 /nfs/dbraw/zinc/56/55/58/679565558.db2.gz ZCMFYBAJHAOSAC-NEXFUWMNSA-N 1 2 355.435 -1.442 20 0 FAADLO Cc1csc(=O)n1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001076942539 679566087 /nfs/dbraw/zinc/56/60/87/679566087.db2.gz RZNUQGDNOBVBFE-GMTAPVOTSA-N 1 2 356.404 -1.512 20 0 FAADLO Cc1csc(=O)n1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001076942539 679566084 /nfs/dbraw/zinc/56/60/84/679566084.db2.gz RZNUQGDNOBVBFE-GMTAPVOTSA-N 1 2 356.404 -1.512 20 0 FAADLO Cc1csc(=O)n1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001076942540 679566216 /nfs/dbraw/zinc/56/62/16/679566216.db2.gz RZNUQGDNOBVBFE-OUAUKWLOSA-N 1 2 356.404 -1.512 20 0 FAADLO Cc1csc(=O)n1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001076942540 679566212 /nfs/dbraw/zinc/56/62/12/679566212.db2.gz RZNUQGDNOBVBFE-OUAUKWLOSA-N 1 2 356.404 -1.512 20 0 FAADLO CCn1ccnc1C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001076942842 679566063 /nfs/dbraw/zinc/56/60/63/679566063.db2.gz YJHTYLXLNXPYBQ-GHMZBOCLSA-N 1 2 350.379 -1.770 20 0 FAADLO CCn1ccnc1C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001076942842 679566058 /nfs/dbraw/zinc/56/60/58/679566058.db2.gz YJHTYLXLNXPYBQ-GHMZBOCLSA-N 1 2 350.379 -1.770 20 0 FAADLO C[C@@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnnn2C)C1 ZINC001076945872 679565837 /nfs/dbraw/zinc/56/58/37/679565837.db2.gz PEQBDWDHIPZPHQ-OUCADQQQSA-N 1 2 350.423 -1.009 20 0 FAADLO C[C@@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnnn2C)C1 ZINC001076945872 679565832 /nfs/dbraw/zinc/56/58/32/679565832.db2.gz PEQBDWDHIPZPHQ-OUCADQQQSA-N 1 2 350.423 -1.009 20 0 FAADLO C[C@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnnn2C)C1 ZINC001076945873 679565582 /nfs/dbraw/zinc/56/55/82/679565582.db2.gz PEQBDWDHIPZPHQ-YRGRVCCFSA-N 1 2 350.423 -1.009 20 0 FAADLO C[C@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnnn2C)C1 ZINC001076945873 679565577 /nfs/dbraw/zinc/56/55/77/679565577.db2.gz PEQBDWDHIPZPHQ-YRGRVCCFSA-N 1 2 350.423 -1.009 20 0 FAADLO O=C(N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O)[C@H]1COC(=O)N1 ZINC001076946856 679566577 /nfs/dbraw/zinc/56/65/77/679566577.db2.gz HPJJGYAYKBQNST-GMTAPVOTSA-N 1 2 362.408 -2.708 20 0 FAADLO O=C(N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O)[C@H]1COC(=O)N1 ZINC001076946856 679566574 /nfs/dbraw/zinc/56/65/74/679566574.db2.gz HPJJGYAYKBQNST-GMTAPVOTSA-N 1 2 362.408 -2.708 20 0 FAADLO O=C(N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O)[C@@H]1COC(=O)N1 ZINC001076946857 679566555 /nfs/dbraw/zinc/56/65/55/679566555.db2.gz HPJJGYAYKBQNST-OUAUKWLOSA-N 1 2 362.408 -2.708 20 0 FAADLO O=C(N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O)[C@@H]1COC(=O)N1 ZINC001076946857 679566553 /nfs/dbraw/zinc/56/65/53/679566553.db2.gz HPJJGYAYKBQNST-OUAUKWLOSA-N 1 2 362.408 -2.708 20 0 FAADLO 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ZINC001076948424 679566301 /nfs/dbraw/zinc/56/63/01/679566301.db2.gz IFJHJRMEGLQLKU-ZYHUDNBSSA-N 1 2 352.420 -1.178 20 0 FAADLO Cn1nncc1C(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1O ZINC001076948640 679566239 /nfs/dbraw/zinc/56/62/39/679566239.db2.gz NXDLGTGEBUKAPS-NQBHXWOUSA-N 1 2 350.423 -1.011 20 0 FAADLO Cn1nncc1C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1O ZINC001076948640 679566236 /nfs/dbraw/zinc/56/62/36/679566236.db2.gz NXDLGTGEBUKAPS-NQBHXWOUSA-N 1 2 350.423 -1.011 20 0 FAADLO Cn1nncc1C(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1O ZINC001076948641 679566177 /nfs/dbraw/zinc/56/61/77/679566177.db2.gz NXDLGTGEBUKAPS-NTZNESFSSA-N 1 2 350.423 -1.011 20 0 FAADLO Cn1nncc1C(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1O ZINC001076948641 679566173 /nfs/dbraw/zinc/56/61/73/679566173.db2.gz NXDLGTGEBUKAPS-NTZNESFSSA-N 1 2 350.423 -1.011 20 0 FAADLO Cn1nncc1C(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001076949020 679565963 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Cn1cc(C(=O)N[C@@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@H]2O)nn1 ZINC001076959437 679567470 /nfs/dbraw/zinc/56/74/70/679567470.db2.gz IJBJLKOGTFTMPG-ZYHUDNBSSA-N 1 2 358.424 -2.375 20 0 FAADLO Cn1cc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(C(C)(C)C)C3=O)C[C@H]2O)nn1 ZINC001076960510 679567374 /nfs/dbraw/zinc/56/73/74/679567374.db2.gz HMRLTLZWEHALBG-KGYLQXTDSA-N 1 2 350.423 -1.011 20 0 FAADLO Cn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(C(C)(C)C)C3=O)C[C@H]2O)nn1 ZINC001076960510 679567371 /nfs/dbraw/zinc/56/73/71/679567371.db2.gz HMRLTLZWEHALBG-KGYLQXTDSA-N 1 2 350.423 -1.011 20 0 FAADLO Cn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(C(C)(C)C)C3=O)C[C@H]2O)nn1 ZINC001076960511 679567411 /nfs/dbraw/zinc/56/74/11/679567411.db2.gz HMRLTLZWEHALBG-RAIGVLPGSA-N 1 2 350.423 -1.011 20 0 FAADLO Cn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(C(C)(C)C)C3=O)C[C@H]2O)nn1 ZINC001076960511 679567408 /nfs/dbraw/zinc/56/74/08/679567408.db2.gz HMRLTLZWEHALBG-RAIGVLPGSA-N 1 2 350.423 -1.011 20 0 FAADLO C[C@@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001076960638 679567385 /nfs/dbraw/zinc/56/73/85/679567385.db2.gz NFGJQIYXXRATDX-OUCADQQQSA-N 1 2 350.423 -1.009 20 0 FAADLO C[C@@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001076960638 679567384 /nfs/dbraw/zinc/56/73/84/679567384.db2.gz NFGJQIYXXRATDX-OUCADQQQSA-N 1 2 350.423 -1.009 20 0 FAADLO C[C@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001076960639 679567431 /nfs/dbraw/zinc/56/74/31/679567431.db2.gz NFGJQIYXXRATDX-YRGRVCCFSA-N 1 2 350.423 -1.009 20 0 FAADLO C[C@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001076960639 679567429 /nfs/dbraw/zinc/56/74/29/679567429.db2.gz NFGJQIYXXRATDX-YRGRVCCFSA-N 1 2 350.423 -1.009 20 0 FAADLO Cc1csc(=O)n1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001076960653 679567266 /nfs/dbraw/zinc/56/72/66/679567266.db2.gz NUHXIRMCBXTKEV-ZYHUDNBSSA-N 1 2 352.420 -1.178 20 0 FAADLO Cc1csc(=O)n1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001076960653 679567264 /nfs/dbraw/zinc/56/72/64/679567264.db2.gz NUHXIRMCBXTKEV-ZYHUDNBSSA-N 1 2 352.420 -1.178 20 0 FAADLO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]2O)o1 ZINC001076962410 679566973 /nfs/dbraw/zinc/56/69/73/679566973.db2.gz QYSYVEOQLCNZMA-IJLUTSLNSA-N 1 2 358.420 -1.483 20 0 FAADLO Cc1nnc(CC(=O)N[C@@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]2O)o1 ZINC001076962410 679566970 /nfs/dbraw/zinc/56/69/70/679566970.db2.gz QYSYVEOQLCNZMA-IJLUTSLNSA-N 1 2 358.420 -1.483 20 0 FAADLO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]2O)o1 ZINC001076962411 679566947 /nfs/dbraw/zinc/56/69/47/679566947.db2.gz QYSYVEOQLCNZMA-QJPTWQEYSA-N 1 2 358.420 -1.483 20 0 FAADLO Cc1nnc(CC(=O)N[C@@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]2O)o1 ZINC001076962411 679566945 /nfs/dbraw/zinc/56/69/45/679566945.db2.gz QYSYVEOQLCNZMA-QJPTWQEYSA-N 1 2 358.420 -1.483 20 0 FAADLO CCn1ncc(C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]2O)n1 ZINC001076962419 679566965 /nfs/dbraw/zinc/56/69/65/679566965.db2.gz REWKRIJUOYVRQJ-GHMZBOCLSA-N 1 2 351.367 -2.375 20 0 FAADLO CCn1ncc(C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]2O)n1 ZINC001076962419 679566963 /nfs/dbraw/zinc/56/69/63/679566963.db2.gz REWKRIJUOYVRQJ-GHMZBOCLSA-N 1 2 351.367 -2.375 20 0 FAADLO CCn1ncc(C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]2O)n1 ZINC001076962450 679566855 /nfs/dbraw/zinc/56/68/55/679566855.db2.gz SCHBTHUFDWQCKV-VXGBXAGGSA-N 1 2 350.379 -1.778 20 0 FAADLO CCn1ncc(C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]2O)n1 ZINC001076962450 679566851 /nfs/dbraw/zinc/56/68/51/679566851.db2.gz SCHBTHUFDWQCKV-VXGBXAGGSA-N 1 2 350.379 -1.778 20 0 FAADLO Cn1cnc(C(=O)N[C@@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@H]2O)n1 ZINC001076963204 679567028 /nfs/dbraw/zinc/56/70/28/679567028.db2.gz FBABMXWPDZJNNH-GHMZBOCLSA-N 1 2 358.424 -2.375 20 0 FAADLO Cn1cnc(C(=O)N[C@@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@H]2O)n1 ZINC001076963204 679567025 /nfs/dbraw/zinc/56/70/25/679567025.db2.gz FBABMXWPDZJNNH-GHMZBOCLSA-N 1 2 358.424 -2.375 20 0 FAADLO Cn1cnc(C(=O)N[C@@H]2C[N@@H+](CC3CCS(=O)(=O)CC3)C[C@H]2O)n1 ZINC001076963514 679567293 /nfs/dbraw/zinc/56/72/93/679567293.db2.gz QIQYTGRIJSAVPW-VXGBXAGGSA-N 1 2 357.436 -1.585 20 0 FAADLO Cn1cnc(C(=O)N[C@@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]2O)n1 ZINC001076963514 679567291 /nfs/dbraw/zinc/56/72/91/679567291.db2.gz QIQYTGRIJSAVPW-VXGBXAGGSA-N 1 2 357.436 -1.585 20 0 FAADLO Cn1cnc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(C(C)(C)C)C3=O)C[C@H]2O)n1 ZINC001076963768 679567288 /nfs/dbraw/zinc/56/72/88/679567288.db2.gz CRNZLHSCHUMUGJ-GRYCIOLGSA-N 1 2 350.423 -1.011 20 0 FAADLO Cn1cnc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(C(C)(C)C)C3=O)C[C@H]2O)n1 ZINC001076963768 679567286 /nfs/dbraw/zinc/56/72/86/679567286.db2.gz CRNZLHSCHUMUGJ-GRYCIOLGSA-N 1 2 350.423 -1.011 20 0 FAADLO Cn1cnc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(C(C)(C)C)C3=O)C[C@H]2O)n1 ZINC001076963769 679567443 /nfs/dbraw/zinc/56/74/43/679567443.db2.gz CRNZLHSCHUMUGJ-IJLUTSLNSA-N 1 2 350.423 -1.011 20 0 FAADLO Cn1cnc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(C(C)(C)C)C3=O)C[C@H]2O)n1 ZINC001076963769 679567440 /nfs/dbraw/zinc/56/74/40/679567440.db2.gz CRNZLHSCHUMUGJ-IJLUTSLNSA-N 1 2 350.423 -1.011 20 0 FAADLO CCn1nncc1C(=O)N[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1O ZINC001076964267 679567767 /nfs/dbraw/zinc/56/77/67/679567767.db2.gz SNDYLDFKZFRQRT-TZMCWYRMSA-N 1 2 371.463 -1.102 20 0 FAADLO CCn1nncc1C(=O)N[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1O ZINC001076964267 679567762 /nfs/dbraw/zinc/56/77/62/679567762.db2.gz SNDYLDFKZFRQRT-TZMCWYRMSA-N 1 2 371.463 -1.102 20 0 FAADLO Cc1csc(=O)n1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001076965429 679567775 /nfs/dbraw/zinc/56/77/75/679567775.db2.gz CAQAUDYBRNCWFK-GHMZBOCLSA-N 1 2 352.420 -1.178 20 0 FAADLO Cc1csc(=O)n1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001076965429 679567773 /nfs/dbraw/zinc/56/77/73/679567773.db2.gz CAQAUDYBRNCWFK-GHMZBOCLSA-N 1 2 352.420 -1.178 20 0 FAADLO C[C@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001076965842 679567898 /nfs/dbraw/zinc/56/78/98/679567898.db2.gz XGKNHIDMMFQTEZ-JHJVBQTASA-N 1 2 350.423 -1.009 20 0 FAADLO C[C@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001076965842 679567894 /nfs/dbraw/zinc/56/78/94/679567894.db2.gz XGKNHIDMMFQTEZ-JHJVBQTASA-N 1 2 350.423 -1.009 20 0 FAADLO C[C@@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001076965843 679567795 /nfs/dbraw/zinc/56/77/95/679567795.db2.gz XGKNHIDMMFQTEZ-YNEHKIRRSA-N 1 2 350.423 -1.009 20 0 FAADLO C[C@@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001076965843 679567793 /nfs/dbraw/zinc/56/77/93/679567793.db2.gz XGKNHIDMMFQTEZ-YNEHKIRRSA-N 1 2 350.423 -1.009 20 0 FAADLO Cn1c(=O)cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC3(F)F)C2)n(C)c1=O ZINC001076967217 679567854 /nfs/dbraw/zinc/56/78/54/679567854.db2.gz IJGVCLRQOZLFBU-GMTAPVOTSA-N 1 2 358.345 -1.600 20 0 FAADLO Cn1c(=O)cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC3(F)F)C2)n(C)c1=O ZINC001076967217 679567851 /nfs/dbraw/zinc/56/78/51/679567851.db2.gz IJGVCLRQOZLFBU-GMTAPVOTSA-N 1 2 358.345 -1.600 20 0 FAADLO Cn1c(=O)cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC3(F)F)C2)n(C)c1=O ZINC001076967218 679567916 /nfs/dbraw/zinc/56/79/16/679567916.db2.gz IJGVCLRQOZLFBU-HBNTYKKESA-N 1 2 358.345 -1.600 20 0 FAADLO Cn1c(=O)cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC3(F)F)C2)n(C)c1=O ZINC001076967218 679567913 /nfs/dbraw/zinc/56/79/13/679567913.db2.gz IJGVCLRQOZLFBU-HBNTYKKESA-N 1 2 358.345 -1.600 20 0 FAADLO CCn1ncc(C(=O)N[C@@H]2C[N@@H+](CC3CCS(=O)(=O)CC3)C[C@H]2O)n1 ZINC001076968045 679567861 /nfs/dbraw/zinc/56/78/61/679567861.db2.gz LVXHPVLBIRJUBK-ZIAGYGMSSA-N 1 2 371.463 -1.102 20 0 FAADLO CCn1ncc(C(=O)N[C@@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]2O)n1 ZINC001076968045 679567859 /nfs/dbraw/zinc/56/78/59/679567859.db2.gz LVXHPVLBIRJUBK-ZIAGYGMSSA-N 1 2 371.463 -1.102 20 0 FAADLO CCn1nncc1C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001076968134 679567836 /nfs/dbraw/zinc/56/78/36/679567836.db2.gz QKMFPYZUVGCPCY-MWLCHTKSSA-N 1 2 351.367 -2.375 20 0 FAADLO CCn1nncc1C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001076968134 679567833 /nfs/dbraw/zinc/56/78/33/679567833.db2.gz QKMFPYZUVGCPCY-MWLCHTKSSA-N 1 2 351.367 -2.375 20 0 FAADLO CCn1nncc1C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001076969207 679567880 /nfs/dbraw/zinc/56/78/80/679567880.db2.gz MMODJWWTVGZERX-ZYHUDNBSSA-N 1 2 350.379 -1.778 20 0 FAADLO CCn1nncc1C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001076969207 679567878 /nfs/dbraw/zinc/56/78/78/679567878.db2.gz MMODJWWTVGZERX-ZYHUDNBSSA-N 1 2 350.379 -1.778 20 0 FAADLO O=C(N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O)[C@H]1CC1(F)F ZINC001076970333 679567752 /nfs/dbraw/zinc/56/77/52/679567752.db2.gz JJNXYAYCWMVISK-GMTAPVOTSA-N 1 2 353.391 -1.162 20 0 FAADLO O=C(N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O)[C@H]1CC1(F)F ZINC001076970333 679567751 /nfs/dbraw/zinc/56/77/51/679567751.db2.gz JJNXYAYCWMVISK-GMTAPVOTSA-N 1 2 353.391 -1.162 20 0 FAADLO O=C(N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O)[C@@H]1CC1(F)F ZINC001076970334 679567889 /nfs/dbraw/zinc/56/78/89/679567889.db2.gz JJNXYAYCWMVISK-HBNTYKKESA-N 1 2 353.391 -1.162 20 0 FAADLO O=C(N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O)[C@@H]1CC1(F)F ZINC001076970334 679567886 /nfs/dbraw/zinc/56/78/86/679567886.db2.gz JJNXYAYCWMVISK-HBNTYKKESA-N 1 2 353.391 -1.162 20 0 FAADLO CC1(C)NC(=O)N(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ncc[nH]3)C2)C1=O ZINC001076971553 679568565 /nfs/dbraw/zinc/56/85/65/679568565.db2.gz IVKWLJHFMNBUNI-NXEZZACHSA-N 1 2 350.379 -1.485 20 0 FAADLO CC1(C)NC(=O)N(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ncc[nH]3)C2)C1=O ZINC001076971553 679568562 /nfs/dbraw/zinc/56/85/62/679568562.db2.gz IVKWLJHFMNBUNI-NXEZZACHSA-N 1 2 350.379 -1.485 20 0 FAADLO Cc1c[nH]nc1C(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001076977145 679568533 /nfs/dbraw/zinc/56/85/33/679568533.db2.gz GUSUNRWHJDZWRD-VXGBXAGGSA-N 1 2 357.436 -1.471 20 0 FAADLO Cc1c[nH]nc1C(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001076977145 679568530 /nfs/dbraw/zinc/56/85/30/679568530.db2.gz GUSUNRWHJDZWRD-VXGBXAGGSA-N 1 2 357.436 -1.471 20 0 FAADLO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(C(C)C)C3=O)C[C@H]2O)[nH]1 ZINC001076978235 679568490 /nfs/dbraw/zinc/56/84/90/679568490.db2.gz HAQNXXVYKAABKM-FRRDWIJNSA-N 1 2 350.423 -1.174 20 0 FAADLO Cc1nnc(CC(=O)N[C@@H]2C[N@H+]([C@H]3CCN(C(C)C)C3=O)C[C@H]2O)[nH]1 ZINC001076978235 679568487 /nfs/dbraw/zinc/56/84/87/679568487.db2.gz HAQNXXVYKAABKM-FRRDWIJNSA-N 1 2 350.423 -1.174 20 0 FAADLO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]2O)[nH]1 ZINC001076978236 679568249 /nfs/dbraw/zinc/56/82/49/679568249.db2.gz HAQNXXVYKAABKM-JHJVBQTASA-N 1 2 350.423 -1.174 20 0 FAADLO Cc1nnc(CC(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]2O)[nH]1 ZINC001076978236 679568244 /nfs/dbraw/zinc/56/82/44/679568244.db2.gz HAQNXXVYKAABKM-JHJVBQTASA-N 1 2 350.423 -1.174 20 0 FAADLO Cc1nc(CC(=O)N[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]2O)n[nH]1 ZINC001076978504 679568147 /nfs/dbraw/zinc/56/81/47/679568147.db2.gz SLLNEFFLDDWXRF-CHWSQXEVSA-N 1 2 350.423 -1.171 20 0 FAADLO Cc1nc(CC(=O)N[C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]2O)n[nH]1 ZINC001076978504 679568144 /nfs/dbraw/zinc/56/81/44/679568144.db2.gz SLLNEFFLDDWXRF-CHWSQXEVSA-N 1 2 350.423 -1.171 20 0 FAADLO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@H]2O)[nH]1 ZINC001076979571 679568553 /nfs/dbraw/zinc/56/85/53/679568553.db2.gz QPYOCHVDXWNWPI-CHWSQXEVSA-N 1 2 350.423 -1.171 20 0 FAADLO Cc1nnc(CC(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@H]2O)[nH]1 ZINC001076979571 679568549 /nfs/dbraw/zinc/56/85/49/679568549.db2.gz QPYOCHVDXWNWPI-CHWSQXEVSA-N 1 2 350.423 -1.171 20 0 FAADLO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]2O)[nH]1 ZINC001076980586 679568476 /nfs/dbraw/zinc/56/84/76/679568476.db2.gz MBDRZFJONVXNTP-IJLUTSLNSA-N 1 2 357.436 -1.748 20 0 FAADLO Cc1nnc(CC(=O)N[C@@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]2O)[nH]1 ZINC001076980586 679568474 /nfs/dbraw/zinc/56/84/74/679568474.db2.gz MBDRZFJONVXNTP-IJLUTSLNSA-N 1 2 357.436 -1.748 20 0 FAADLO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]2O)[nH]1 ZINC001076980587 679568406 /nfs/dbraw/zinc/56/84/06/679568406.db2.gz MBDRZFJONVXNTP-QJPTWQEYSA-N 1 2 357.436 -1.748 20 0 FAADLO Cc1nnc(CC(=O)N[C@@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]2O)[nH]1 ZINC001076980587 679568403 /nfs/dbraw/zinc/56/84/03/679568403.db2.gz MBDRZFJONVXNTP-QJPTWQEYSA-N 1 2 357.436 -1.748 20 0 FAADLO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]2O)[nH]1 ZINC001076980641 679568131 /nfs/dbraw/zinc/56/81/31/679568131.db2.gz OBWZTTMXAPWEIZ-JHJVBQTASA-N 1 2 371.463 -1.358 20 0 FAADLO Cc1nnc(CC(=O)N[C@@H]2C[N@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]2O)[nH]1 ZINC001076980641 679568128 /nfs/dbraw/zinc/56/81/28/679568128.db2.gz OBWZTTMXAPWEIZ-JHJVBQTASA-N 1 2 371.463 -1.358 20 0 FAADLO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]2O)[nH]1 ZINC001076980642 679568107 /nfs/dbraw/zinc/56/81/07/679568107.db2.gz OBWZTTMXAPWEIZ-YNEHKIRRSA-N 1 2 371.463 -1.358 20 0 FAADLO Cc1nnc(CC(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]2O)[nH]1 ZINC001076980642 679568105 /nfs/dbraw/zinc/56/81/05/679568105.db2.gz OBWZTTMXAPWEIZ-YNEHKIRRSA-N 1 2 371.463 -1.358 20 0 FAADLO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](CC3CCS(=O)(=O)CC3)C[C@H]2O)[nH]1 ZINC001076980658 679568319 /nfs/dbraw/zinc/56/83/19/679568319.db2.gz ONIIVYKJRPQWBJ-CHWSQXEVSA-N 1 2 371.463 -1.358 20 0 FAADLO Cc1nnc(CC(=O)N[C@@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]2O)[nH]1 ZINC001076980658 679568315 /nfs/dbraw/zinc/56/83/15/679568315.db2.gz ONIIVYKJRPQWBJ-CHWSQXEVSA-N 1 2 371.463 -1.358 20 0 FAADLO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]2O)[nH]1 ZINC001076980680 679568454 /nfs/dbraw/zinc/56/84/54/679568454.db2.gz PJSVMUHKZRQDSE-JHJVBQTASA-N 1 2 371.463 -1.358 20 0 FAADLO Cc1nnc(CC(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]2O)[nH]1 ZINC001076980680 679568451 /nfs/dbraw/zinc/56/84/51/679568451.db2.gz PJSVMUHKZRQDSE-JHJVBQTASA-N 1 2 371.463 -1.358 20 0 FAADLO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]2O)[nH]1 ZINC001076980681 679568297 /nfs/dbraw/zinc/56/82/97/679568297.db2.gz PJSVMUHKZRQDSE-YNEHKIRRSA-N 1 2 371.463 -1.358 20 0 FAADLO Cc1nnc(CC(=O)N[C@@H]2C[N@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]2O)[nH]1 ZINC001076980681 679568293 /nfs/dbraw/zinc/56/82/93/679568293.db2.gz PJSVMUHKZRQDSE-YNEHKIRRSA-N 1 2 371.463 -1.358 20 0 FAADLO Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@H]2O)nn1 ZINC001076980770 679568523 /nfs/dbraw/zinc/56/85/23/679568523.db2.gz UBRHFJNBCLCBIV-ZIAGYGMSSA-N 1 2 369.447 -1.405 20 0 FAADLO Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@H]2O)nn1 ZINC001076980770 679568520 /nfs/dbraw/zinc/56/85/20/679568520.db2.gz UBRHFJNBCLCBIV-ZIAGYGMSSA-N 1 2 369.447 -1.405 20 0 FAADLO Cc1cn(C)nc1C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001076981982 679568358 /nfs/dbraw/zinc/56/83/58/679568358.db2.gz ZKATZVYDEGOTLC-GHMZBOCLSA-N 1 2 350.379 -1.945 20 0 FAADLO Cc1cn(C)nc1C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001076981982 679568355 /nfs/dbraw/zinc/56/83/55/679568355.db2.gz ZKATZVYDEGOTLC-GHMZBOCLSA-N 1 2 350.379 -1.945 20 0 FAADLO Cc1cn(C)nc1C(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001076982992 679568910 /nfs/dbraw/zinc/56/89/10/679568910.db2.gz VJVLMINZZHPNIQ-CHWSQXEVSA-N 1 2 371.463 -1.461 20 0 FAADLO Cc1cn(C)nc1C(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001076982992 679568906 /nfs/dbraw/zinc/56/89/06/679568906.db2.gz VJVLMINZZHPNIQ-CHWSQXEVSA-N 1 2 371.463 -1.461 20 0 FAADLO Cn1ccc(CC(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]2O)n1 ZINC001076983721 679568988 /nfs/dbraw/zinc/56/89/88/679568988.db2.gz CRMLVVMPVKLBCV-ZIAGYGMSSA-N 1 2 351.407 -2.017 20 0 FAADLO Cn1ccc(CC(=O)N[C@@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]2O)n1 ZINC001076983721 679568987 /nfs/dbraw/zinc/56/89/87/679568987.db2.gz CRMLVVMPVKLBCV-ZIAGYGMSSA-N 1 2 351.407 -2.017 20 0 FAADLO Cn1ccc(CC(=O)N[C@@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@H]2O)n1 ZINC001076983786 679568870 /nfs/dbraw/zinc/56/88/70/679568870.db2.gz HCNPPLQNAIYAPF-ZIAGYGMSSA-N 1 2 371.463 -1.841 20 0 FAADLO Cn1ccc(CC(=O)N[C@@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@H]2O)n1 ZINC001076983786 679568868 /nfs/dbraw/zinc/56/88/68/679568868.db2.gz HCNPPLQNAIYAPF-ZIAGYGMSSA-N 1 2 371.463 -1.841 20 0 FAADLO Cn1ccc(CC(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]2O)n1 ZINC001076983960 679568726 /nfs/dbraw/zinc/56/87/26/679568726.db2.gz OSTRWQREVRIEFR-IACUBPJLSA-N 1 2 356.448 -1.441 20 0 FAADLO Cn1ccc(CC(=O)N[C@@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]2O)n1 ZINC001076983960 679568722 /nfs/dbraw/zinc/56/87/22/679568722.db2.gz OSTRWQREVRIEFR-IACUBPJLSA-N 1 2 356.448 -1.441 20 0 FAADLO Cn1ccc(CC(=O)N[C@@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]2O)n1 ZINC001076983961 679568941 /nfs/dbraw/zinc/56/89/41/679568941.db2.gz OSTRWQREVRIEFR-MRVWCRGKSA-N 1 2 356.448 -1.441 20 0 FAADLO Cn1ccc(CC(=O)N[C@@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]2O)n1 ZINC001076983961 679568938 /nfs/dbraw/zinc/56/89/38/679568938.db2.gz OSTRWQREVRIEFR-MRVWCRGKSA-N 1 2 356.448 -1.441 20 0 FAADLO Cn1ccc(CC(=O)N[C@@H]2C[N@@H+](CC3CCS(=O)(=O)CC3)C[C@H]2O)n1 ZINC001076983972 679568961 /nfs/dbraw/zinc/56/89/61/679568961.db2.gz PGUYQSHBVXBPOS-HUUCEWRRSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1ccc(CC(=O)N[C@@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]2O)n1 ZINC001076983972 679568959 /nfs/dbraw/zinc/56/89/59/679568959.db2.gz PGUYQSHBVXBPOS-HUUCEWRRSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1ccc(CC(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]2O)n1 ZINC001076984070 679569005 /nfs/dbraw/zinc/56/90/05/679569005.db2.gz UTXCMPSQTYQOFG-BPLDGKMQSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1ccc(CC(=O)N[C@@H]2C[N@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]2O)n1 ZINC001076984070 679569003 /nfs/dbraw/zinc/56/90/03/679569003.db2.gz UTXCMPSQTYQOFG-BPLDGKMQSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1ccc(CC(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]2O)n1 ZINC001076984071 679568893 /nfs/dbraw/zinc/56/88/93/679568893.db2.gz UTXCMPSQTYQOFG-NWANDNLSSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1ccc(CC(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]2O)n1 ZINC001076984071 679568890 /nfs/dbraw/zinc/56/88/90/679568890.db2.gz UTXCMPSQTYQOFG-NWANDNLSSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1ccc(CC(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]2O)n1 ZINC001076984077 679568901 /nfs/dbraw/zinc/56/89/01/679568901.db2.gz VDCAMIWHAJPRJD-BPLDGKMQSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1ccc(CC(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]2O)n1 ZINC001076984077 679568899 /nfs/dbraw/zinc/56/88/99/679568899.db2.gz VDCAMIWHAJPRJD-BPLDGKMQSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1ccc(CC(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]2O)n1 ZINC001076984078 679569020 /nfs/dbraw/zinc/56/90/20/679569020.db2.gz VDCAMIWHAJPRJD-NWANDNLSSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1ccc(CC(=O)N[C@@H]2C[N@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]2O)n1 ZINC001076984078 679569019 /nfs/dbraw/zinc/56/90/19/679569019.db2.gz VDCAMIWHAJPRJD-NWANDNLSSA-N 1 2 370.475 -1.051 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]2O)nn1 ZINC001076984975 679568967 /nfs/dbraw/zinc/56/89/67/679568967.db2.gz NKGKJAFIFGADQZ-KGYLQXTDSA-N 1 2 352.395 -2.022 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]2O)nn1 ZINC001076984975 679568965 /nfs/dbraw/zinc/56/89/65/679568965.db2.gz NKGKJAFIFGADQZ-KGYLQXTDSA-N 1 2 352.395 -2.022 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]2O)nn1 ZINC001076984976 679568980 /nfs/dbraw/zinc/56/89/80/679568980.db2.gz NKGKJAFIFGADQZ-RAIGVLPGSA-N 1 2 352.395 -2.022 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]2O)nn1 ZINC001076984976 679568978 /nfs/dbraw/zinc/56/89/78/679568978.db2.gz NKGKJAFIFGADQZ-RAIGVLPGSA-N 1 2 352.395 -2.022 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]2O)nn1 ZINC001076985035 679569026 /nfs/dbraw/zinc/56/90/26/679569026.db2.gz PNFAFLACAYPDIH-KGYLQXTDSA-N 1 2 352.395 -2.070 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]2O)nn1 ZINC001076985035 679569024 /nfs/dbraw/zinc/56/90/24/679569024.db2.gz PNFAFLACAYPDIH-KGYLQXTDSA-N 1 2 352.395 -2.070 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]2O)nn1 ZINC001076985036 679568934 /nfs/dbraw/zinc/56/89/34/679568934.db2.gz PNFAFLACAYPDIH-RAIGVLPGSA-N 1 2 352.395 -2.070 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]2O)nn1 ZINC001076985036 679568932 /nfs/dbraw/zinc/56/89/32/679568932.db2.gz PNFAFLACAYPDIH-RAIGVLPGSA-N 1 2 352.395 -2.070 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]2O)nn1 ZINC001076985224 679569415 /nfs/dbraw/zinc/56/94/15/679569415.db2.gz ZKDYGDSMPHHYIM-DMDPSCGWSA-N 1 2 354.411 -1.824 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]2O)nn1 ZINC001076985224 679569413 /nfs/dbraw/zinc/56/94/13/679569413.db2.gz ZKDYGDSMPHHYIM-DMDPSCGWSA-N 1 2 354.411 -1.824 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]2O)nn1 ZINC001076985225 679569384 /nfs/dbraw/zinc/56/93/84/679569384.db2.gz ZKDYGDSMPHHYIM-NQBHXWOUSA-N 1 2 354.411 -1.824 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]2O)nn1 ZINC001076985225 679569383 /nfs/dbraw/zinc/56/93/83/679569383.db2.gz ZKDYGDSMPHHYIM-NQBHXWOUSA-N 1 2 354.411 -1.824 20 0 FAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CCOC)c2C)C1 ZINC001076987399 679569397 /nfs/dbraw/zinc/56/93/97/679569397.db2.gz PEOQGZQTVVTTTB-HZSPNIEDSA-N 1 2 353.423 -1.123 20 0 FAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CCOC)c2C)C1 ZINC001076987399 679569395 /nfs/dbraw/zinc/56/93/95/679569395.db2.gz PEOQGZQTVVTTTB-HZSPNIEDSA-N 1 2 353.423 -1.123 20 0 FAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CCOC)c2C)C1 ZINC001076987400 679569306 /nfs/dbraw/zinc/56/93/06/679569306.db2.gz PEOQGZQTVVTTTB-MGPQQGTHSA-N 1 2 353.423 -1.123 20 0 FAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CCOC)c2C)C1 ZINC001076987400 679569304 /nfs/dbraw/zinc/56/93/04/679569304.db2.gz PEOQGZQTVVTTTB-MGPQQGTHSA-N 1 2 353.423 -1.123 20 0 FAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CCOC)c2C)C1 ZINC001076987406 679569282 /nfs/dbraw/zinc/56/92/82/679569282.db2.gz PSQGDSKNFDTOMZ-IACUBPJLSA-N 1 2 353.423 -1.253 20 0 FAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CCOC)c2C)C1 ZINC001076987406 679569279 /nfs/dbraw/zinc/56/92/79/679569279.db2.gz PSQGDSKNFDTOMZ-IACUBPJLSA-N 1 2 353.423 -1.253 20 0 FAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CCOC)c2C)C1 ZINC001076987407 679569363 /nfs/dbraw/zinc/56/93/63/679569363.db2.gz PSQGDSKNFDTOMZ-MRVWCRGKSA-N 1 2 353.423 -1.253 20 0 FAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CCOC)c2C)C1 ZINC001076987407 679569361 /nfs/dbraw/zinc/56/93/61/679569361.db2.gz PSQGDSKNFDTOMZ-MRVWCRGKSA-N 1 2 353.423 -1.253 20 0 FAADLO Cc1cccn(CC(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]2O)c1=O ZINC001076990307 679569379 /nfs/dbraw/zinc/56/93/79/679569379.db2.gz XCIMCOQFNLRJKG-BFHYXJOUSA-N 1 2 350.419 -1.205 20 0 FAADLO Cc1cccn(CC(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]2O)c1=O ZINC001076990307 679569378 /nfs/dbraw/zinc/56/93/78/679569378.db2.gz XCIMCOQFNLRJKG-BFHYXJOUSA-N 1 2 350.419 -1.205 20 0 FAADLO Cc1cccn(CC(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]2O)c1=O ZINC001076990309 679569336 /nfs/dbraw/zinc/56/93/36/679569336.db2.gz XCIMCOQFNLRJKG-MGPQQGTHSA-N 1 2 350.419 -1.205 20 0 FAADLO Cc1cccn(CC(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]2O)c1=O ZINC001076990309 679569334 /nfs/dbraw/zinc/56/93/34/679569334.db2.gz XCIMCOQFNLRJKG-MGPQQGTHSA-N 1 2 350.419 -1.205 20 0 FAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(CCOC)nc2C)C1 ZINC001076992223 679568750 /nfs/dbraw/zinc/56/87/50/679568750.db2.gz KGPBEWWCSMITHW-IACUBPJLSA-N 1 2 353.423 -1.253 20 0 FAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(CCOC)nc2C)C1 ZINC001076992223 679568746 /nfs/dbraw/zinc/56/87/46/679568746.db2.gz KGPBEWWCSMITHW-IACUBPJLSA-N 1 2 353.423 -1.253 20 0 FAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(CCOC)nc2C)C1 ZINC001076992224 679568814 /nfs/dbraw/zinc/56/88/14/679568814.db2.gz KGPBEWWCSMITHW-MRVWCRGKSA-N 1 2 353.423 -1.253 20 0 FAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(CCOC)nc2C)C1 ZINC001076992224 679568810 /nfs/dbraw/zinc/56/88/10/679568810.db2.gz KGPBEWWCSMITHW-MRVWCRGKSA-N 1 2 353.423 -1.253 20 0 FAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(CCOC)nc2C)C1 ZINC001076992242 679568858 /nfs/dbraw/zinc/56/88/58/679568858.db2.gz KWRKSKSRKVODKD-HZSPNIEDSA-N 1 2 353.423 -1.123 20 0 FAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(CCOC)nc2C)C1 ZINC001076992242 679568854 /nfs/dbraw/zinc/56/88/54/679568854.db2.gz KWRKSKSRKVODKD-HZSPNIEDSA-N 1 2 353.423 -1.123 20 0 FAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(CCOC)nc2C)C1 ZINC001076992243 679568802 /nfs/dbraw/zinc/56/88/02/679568802.db2.gz KWRKSKSRKVODKD-MGPQQGTHSA-N 1 2 353.423 -1.123 20 0 FAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(CCOC)nc2C)C1 ZINC001076992243 679568798 /nfs/dbraw/zinc/56/87/98/679568798.db2.gz KWRKSKSRKVODKD-MGPQQGTHSA-N 1 2 353.423 -1.123 20 0 FAADLO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(N(C)C)cn2)C1 ZINC001076994884 679569246 /nfs/dbraw/zinc/56/92/46/679569246.db2.gz ZLAVVHNNNAFRGW-CYZMBNFOSA-N 1 2 350.423 -1.206 20 0 FAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(N(C)C)cn2)C1 ZINC001076994884 679569243 /nfs/dbraw/zinc/56/92/43/679569243.db2.gz ZLAVVHNNNAFRGW-CYZMBNFOSA-N 1 2 350.423 -1.206 20 0 FAADLO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(N(C)C)cn2)C1 ZINC001076994885 679569265 /nfs/dbraw/zinc/56/92/65/679569265.db2.gz ZLAVVHNNNAFRGW-RAIGVLPGSA-N 1 2 350.423 -1.206 20 0 FAADLO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(N(C)C)cn2)C1 ZINC001076994885 679569262 /nfs/dbraw/zinc/56/92/62/679569262.db2.gz ZLAVVHNNNAFRGW-RAIGVLPGSA-N 1 2 350.423 -1.206 20 0 FAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@H]1O ZINC001077001693 679569409 /nfs/dbraw/zinc/56/94/09/679569409.db2.gz HLUYHEBIGQXGBJ-CHWSQXEVSA-N 1 2 351.411 -1.763 20 0 FAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@H]1O ZINC001077001693 679569408 /nfs/dbraw/zinc/56/94/08/679569408.db2.gz HLUYHEBIGQXGBJ-CHWSQXEVSA-N 1 2 351.411 -1.763 20 0 FAADLO C[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001077001714 679569833 /nfs/dbraw/zinc/56/98/33/679569833.db2.gz IHZWKIZLTLRUAF-JHJVBQTASA-N 1 2 351.411 -1.765 20 0 FAADLO C[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001077001714 679569829 /nfs/dbraw/zinc/56/98/29/679569829.db2.gz IHZWKIZLTLRUAF-JHJVBQTASA-N 1 2 351.411 -1.765 20 0 FAADLO C[C@H]1CCCCN1C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001077001715 679569865 /nfs/dbraw/zinc/56/98/65/679569865.db2.gz IHZWKIZLTLRUAF-YNEHKIRRSA-N 1 2 351.411 -1.765 20 0 FAADLO C[C@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001077001715 679569863 /nfs/dbraw/zinc/56/98/63/679569863.db2.gz IHZWKIZLTLRUAF-YNEHKIRRSA-N 1 2 351.411 -1.765 20 0 FAADLO CC1CCN(C(=O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3ncnn3)C2)CC1 ZINC001077001728 679569824 /nfs/dbraw/zinc/56/98/24/679569824.db2.gz JFLCNNLTEGVQIC-CHWSQXEVSA-N 1 2 351.411 -1.907 20 0 FAADLO CC1CCN(C(=O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3ncnn3)C2)CC1 ZINC001077001728 679569822 /nfs/dbraw/zinc/56/98/22/679569822.db2.gz JFLCNNLTEGVQIC-CHWSQXEVSA-N 1 2 351.411 -1.907 20 0 FAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001077001822 679569928 /nfs/dbraw/zinc/56/99/28/679569928.db2.gz NRYFYZPFRGJDFE-IJLUTSLNSA-N 1 2 358.424 -2.341 20 0 FAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001077001822 679569924 /nfs/dbraw/zinc/56/99/24/679569924.db2.gz NRYFYZPFRGJDFE-IJLUTSLNSA-N 1 2 358.424 -2.341 20 0 FAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001077001823 679569914 /nfs/dbraw/zinc/56/99/14/679569914.db2.gz NRYFYZPFRGJDFE-QJPTWQEYSA-N 1 2 358.424 -2.341 20 0 FAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001077001823 679569910 /nfs/dbraw/zinc/56/99/10/679569910.db2.gz NRYFYZPFRGJDFE-QJPTWQEYSA-N 1 2 358.424 -2.341 20 0 FAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001077002016 679569730 /nfs/dbraw/zinc/56/97/30/679569730.db2.gz XZURGPQHLAABNA-GHMZBOCLSA-N 1 2 359.412 -3.130 20 0 FAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001077002016 679569725 /nfs/dbraw/zinc/56/97/25/679569725.db2.gz XZURGPQHLAABNA-GHMZBOCLSA-N 1 2 359.412 -3.130 20 0 FAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1O ZINC001077002050 679569977 /nfs/dbraw/zinc/56/99/77/679569977.db2.gz ZJYAVHSBDYOMIQ-VXGBXAGGSA-N 1 2 358.424 -2.341 20 0 FAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1O ZINC001077002050 679569974 /nfs/dbraw/zinc/56/99/74/679569974.db2.gz ZJYAVHSBDYOMIQ-VXGBXAGGSA-N 1 2 358.424 -2.341 20 0 FAADLO C[C@@H]1CCCN(C(=O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3ncnn3)C2)C1 ZINC001077002062 679569957 /nfs/dbraw/zinc/56/99/57/679569957.db2.gz ZTSZMCNYELPRGO-JHJVBQTASA-N 1 2 351.411 -1.907 20 0 FAADLO C[C@@H]1CCCN(C(=O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3ncnn3)C2)C1 ZINC001077002062 679569954 /nfs/dbraw/zinc/56/99/54/679569954.db2.gz ZTSZMCNYELPRGO-JHJVBQTASA-N 1 2 351.411 -1.907 20 0 FAADLO C[C@H]1CCCN(C(=O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3ncnn3)C2)C1 ZINC001077002063 679569843 /nfs/dbraw/zinc/56/98/43/679569843.db2.gz ZTSZMCNYELPRGO-YNEHKIRRSA-N 1 2 351.411 -1.907 20 0 FAADLO C[C@H]1CCCN(C(=O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3ncnn3)C2)C1 ZINC001077002063 679569840 /nfs/dbraw/zinc/56/98/40/679569840.db2.gz ZTSZMCNYELPRGO-YNEHKIRRSA-N 1 2 351.411 -1.907 20 0 FAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1O ZINC001077002658 679569785 /nfs/dbraw/zinc/56/97/85/679569785.db2.gz BKNUBRPALDMABN-IJLUTSLNSA-N 1 2 358.424 -2.341 20 0 FAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1O ZINC001077002658 679569782 /nfs/dbraw/zinc/56/97/82/679569782.db2.gz BKNUBRPALDMABN-IJLUTSLNSA-N 1 2 358.424 -2.341 20 0 FAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1O ZINC001077002659 679569793 /nfs/dbraw/zinc/56/97/93/679569793.db2.gz BKNUBRPALDMABN-QJPTWQEYSA-N 1 2 358.424 -2.341 20 0 FAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1O ZINC001077002659 679569790 /nfs/dbraw/zinc/56/97/90/679569790.db2.gz BKNUBRPALDMABN-QJPTWQEYSA-N 1 2 358.424 -2.341 20 0 FAADLO CC1(C)CC(=O)N(CC(=O)N[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]2O)C1=O ZINC001077002676 679569754 /nfs/dbraw/zinc/56/97/54/679569754.db2.gz BWATUJPGVGSJMK-GMTAPVOTSA-N 1 2 352.391 -2.179 20 0 FAADLO CC1(C)CC(=O)N(CC(=O)N[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]2O)C1=O ZINC001077002676 679569751 /nfs/dbraw/zinc/56/97/51/679569751.db2.gz BWATUJPGVGSJMK-GMTAPVOTSA-N 1 2 352.391 -2.179 20 0 FAADLO CC1(C)CC(=O)N(CC(=O)N[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]2O)C1=O ZINC001077002677 679569901 /nfs/dbraw/zinc/56/99/01/679569901.db2.gz BWATUJPGVGSJMK-OUAUKWLOSA-N 1 2 352.391 -2.179 20 0 FAADLO CC1(C)CC(=O)N(CC(=O)N[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]2O)C1=O ZINC001077002677 679569899 /nfs/dbraw/zinc/56/98/99/679569899.db2.gz BWATUJPGVGSJMK-OUAUKWLOSA-N 1 2 352.391 -2.179 20 0 FAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C1 ZINC001077002739 679569816 /nfs/dbraw/zinc/56/98/16/679569816.db2.gz FMXQDUOTJYXUAQ-GHMZBOCLSA-N 1 2 354.407 -1.979 20 0 FAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C1 ZINC001077002739 679569814 /nfs/dbraw/zinc/56/98/14/679569814.db2.gz FMXQDUOTJYXUAQ-GHMZBOCLSA-N 1 2 354.407 -1.979 20 0 FAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C1 ZINC001077002925 679569760 /nfs/dbraw/zinc/56/97/60/679569760.db2.gz MFYVBSWVICYCIQ-GMTAPVOTSA-N 1 2 354.407 -1.803 20 0 FAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C1 ZINC001077002925 679569757 /nfs/dbraw/zinc/56/97/57/679569757.db2.gz MFYVBSWVICYCIQ-GMTAPVOTSA-N 1 2 354.407 -1.803 20 0 FAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C1 ZINC001077002926 679569769 /nfs/dbraw/zinc/56/97/69/679569769.db2.gz MFYVBSWVICYCIQ-OUAUKWLOSA-N 1 2 354.407 -1.803 20 0 FAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C1 ZINC001077002926 679569767 /nfs/dbraw/zinc/56/97/67/679569767.db2.gz MFYVBSWVICYCIQ-OUAUKWLOSA-N 1 2 354.407 -1.803 20 0 FAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C1 ZINC001077003080 679569936 /nfs/dbraw/zinc/56/99/36/679569936.db2.gz RNZMBBPGXWRGSH-GMTAPVOTSA-N 1 2 354.407 -1.933 20 0 FAADLO 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ZINC001077055320 679572446 /nfs/dbraw/zinc/57/24/46/679572446.db2.gz QFKNNELBSOIVNE-ARFHVFGLSA-N 1 2 368.455 -1.204 20 0 FAADLO O=C(N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1O)C1CS(=O)(=O)C1 ZINC001077055320 679572442 /nfs/dbraw/zinc/57/24/42/679572442.db2.gz QFKNNELBSOIVNE-ARFHVFGLSA-N 1 2 368.455 -1.204 20 0 FAADLO O=C(N[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@H]1O)C1CS(=O)(=O)C1 ZINC001077055321 679572488 /nfs/dbraw/zinc/57/24/88/679572488.db2.gz QFKNNELBSOIVNE-BZUAXINKSA-N 1 2 368.455 -1.204 20 0 FAADLO O=C(N[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@H]1O)C1CS(=O)(=O)C1 ZINC001077055321 679572479 /nfs/dbraw/zinc/57/24/79/679572479.db2.gz QFKNNELBSOIVNE-BZUAXINKSA-N 1 2 368.455 -1.204 20 0 FAADLO O=C(N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O)c1ccnn1C(F)F ZINC001077059527 679572269 /nfs/dbraw/zinc/57/22/69/679572269.db2.gz NFIPPKDVHQDUQO-KHQFGBGNSA-N 1 2 357.317 -1.142 20 0 FAADLO O=C(N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O)c1ccnn1C(F)F ZINC001077059527 679572267 /nfs/dbraw/zinc/57/22/67/679572267.db2.gz NFIPPKDVHQDUQO-KHQFGBGNSA-N 1 2 357.317 -1.142 20 0 FAADLO O=C(N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O)c1ccnn1C(F)F ZINC001077059528 679572281 /nfs/dbraw/zinc/57/22/81/679572281.db2.gz NFIPPKDVHQDUQO-NQMVMOMDSA-N 1 2 357.317 -1.142 20 0 FAADLO O=C(N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O)c1ccnn1C(F)F ZINC001077059528 679572279 /nfs/dbraw/zinc/57/22/79/679572279.db2.gz NFIPPKDVHQDUQO-NQMVMOMDSA-N 1 2 357.317 -1.142 20 0 FAADLO O=C(Cn1nccn1)N[C@@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1O ZINC001077063205 679572877 /nfs/dbraw/zinc/57/28/77/679572877.db2.gz CMPVSNCWEHXZKW-JHJVBQTASA-N 1 2 357.436 -1.736 20 0 FAADLO O=C(Cn1nccn1)N[C@@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1O ZINC001077063205 679572870 /nfs/dbraw/zinc/57/28/70/679572870.db2.gz CMPVSNCWEHXZKW-JHJVBQTASA-N 1 2 357.436 -1.736 20 0 FAADLO O=C(Cn1nccn1)N[C@@H]1C[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1O ZINC001077063206 679573027 /nfs/dbraw/zinc/57/30/27/679573027.db2.gz CMPVSNCWEHXZKW-YNEHKIRRSA-N 1 2 357.436 -1.736 20 0 FAADLO O=C(Cn1nccn1)N[C@@H]1C[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1O ZINC001077063206 679573023 /nfs/dbraw/zinc/57/30/23/679573023.db2.gz CMPVSNCWEHXZKW-YNEHKIRRSA-N 1 2 357.436 -1.736 20 0 FAADLO C[C@@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001077063337 679572995 /nfs/dbraw/zinc/57/29/95/679572995.db2.gz ICKFFPIFRBXTKY-IACUBPJLSA-N 1 2 350.423 -1.113 20 0 FAADLO C[C@@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001077063337 679572991 /nfs/dbraw/zinc/57/29/91/679572991.db2.gz ICKFFPIFRBXTKY-IACUBPJLSA-N 1 2 350.423 -1.113 20 0 FAADLO C[C@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001077063338 679572936 /nfs/dbraw/zinc/57/29/36/679572936.db2.gz ICKFFPIFRBXTKY-MRVWCRGKSA-N 1 2 350.423 -1.113 20 0 FAADLO C[C@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001077063338 679572931 /nfs/dbraw/zinc/57/29/31/679572931.db2.gz ICKFFPIFRBXTKY-MRVWCRGKSA-N 1 2 350.423 -1.113 20 0 FAADLO Cc1csc(=O)n1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001077063402 679572963 /nfs/dbraw/zinc/57/29/63/679572963.db2.gz LKCOYOYHFUQSKL-VXGBXAGGSA-N 1 2 352.420 -1.329 20 0 FAADLO Cc1csc(=O)n1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001077063402 679572960 /nfs/dbraw/zinc/57/29/60/679572960.db2.gz LKCOYOYHFUQSKL-VXGBXAGGSA-N 1 2 352.420 -1.329 20 0 FAADLO C[C@@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001077063463 679572861 /nfs/dbraw/zinc/57/28/61/679572861.db2.gz OIRZRKQUSFXKGM-BFHYXJOUSA-N 1 2 350.423 -1.160 20 0 FAADLO C[C@@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001077063463 679572857 /nfs/dbraw/zinc/57/28/57/679572857.db2.gz OIRZRKQUSFXKGM-BFHYXJOUSA-N 1 2 350.423 -1.160 20 0 FAADLO C[C@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001077063464 679573110 /nfs/dbraw/zinc/57/31/10/679573110.db2.gz OIRZRKQUSFXKGM-MGPQQGTHSA-N 1 2 350.423 -1.160 20 0 FAADLO C[C@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001077063464 679573109 /nfs/dbraw/zinc/57/31/09/679573109.db2.gz OIRZRKQUSFXKGM-MGPQQGTHSA-N 1 2 350.423 -1.160 20 0 FAADLO CC(C)(C)N1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3nccn3)C2)C1=O ZINC001077063627 679572917 /nfs/dbraw/zinc/57/29/17/679572917.db2.gz VYAOOAMXWKKLKA-FRRDWIJNSA-N 1 2 350.423 -1.161 20 0 FAADLO CC(C)(C)N1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3nccn3)C2)C1=O ZINC001077063627 679572914 /nfs/dbraw/zinc/57/29/14/679572914.db2.gz VYAOOAMXWKKLKA-FRRDWIJNSA-N 1 2 350.423 -1.161 20 0 FAADLO CC(C)(C)N1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3nccn3)C2)C1=O ZINC001077063628 679572951 /nfs/dbraw/zinc/57/29/51/679572951.db2.gz VYAOOAMXWKKLKA-JHJVBQTASA-N 1 2 350.423 -1.161 20 0 FAADLO CC(C)(C)N1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3nccn3)C2)C1=O ZINC001077063628 679572946 /nfs/dbraw/zinc/57/29/46/679572946.db2.gz VYAOOAMXWKKLKA-JHJVBQTASA-N 1 2 350.423 -1.161 20 0 FAADLO C[C@H]1CCCCN1C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001077064771 679573010 /nfs/dbraw/zinc/57/30/10/679573010.db2.gz VFIZVZCYUXJYEF-BFHYXJOUSA-N 1 2 350.423 -1.160 20 0 FAADLO C[C@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001077064771 679573006 /nfs/dbraw/zinc/57/30/06/679573006.db2.gz VFIZVZCYUXJYEF-BFHYXJOUSA-N 1 2 350.423 -1.160 20 0 FAADLO C[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001077064772 679572797 /nfs/dbraw/zinc/57/27/97/679572797.db2.gz VFIZVZCYUXJYEF-MGPQQGTHSA-N 1 2 350.423 -1.160 20 0 FAADLO C[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001077064772 679572795 /nfs/dbraw/zinc/57/27/95/679572795.db2.gz VFIZVZCYUXJYEF-MGPQQGTHSA-N 1 2 350.423 -1.160 20 0 FAADLO CC1CCN(C(=O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3nccn3)C2)CC1 ZINC001077065054 679573054 /nfs/dbraw/zinc/57/30/54/679573054.db2.gz ZADMQONHMAIWLV-ZIAGYGMSSA-N 1 2 350.423 -1.302 20 0 FAADLO CC1CCN(C(=O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3nccn3)C2)CC1 ZINC001077065054 679573051 /nfs/dbraw/zinc/57/30/51/679573051.db2.gz ZADMQONHMAIWLV-ZIAGYGMSSA-N 1 2 350.423 -1.302 20 0 FAADLO O=C(Cn1nccn1)N[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1O ZINC001077065399 679572847 /nfs/dbraw/zinc/57/28/47/679572847.db2.gz BFLMPZGOIWGWMS-CHWSQXEVSA-N 1 2 357.436 -1.736 20 0 FAADLO O=C(Cn1nccn1)N[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1O ZINC001077065399 679572843 /nfs/dbraw/zinc/57/28/43/679572843.db2.gz BFLMPZGOIWGWMS-CHWSQXEVSA-N 1 2 357.436 -1.736 20 0 FAADLO C[C@H]1CCCN(C(=O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3nccn3)C2)C1 ZINC001077065598 679573453 /nfs/dbraw/zinc/57/34/53/679573453.db2.gz LNAGJQPSPCLJJS-BFHYXJOUSA-N 1 2 350.423 -1.302 20 0 FAADLO C[C@H]1CCCN(C(=O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3nccn3)C2)C1 ZINC001077065598 679573448 /nfs/dbraw/zinc/57/34/48/679573448.db2.gz LNAGJQPSPCLJJS-BFHYXJOUSA-N 1 2 350.423 -1.302 20 0 FAADLO C[C@@H]1CCCN(C(=O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3nccn3)C2)C1 ZINC001077065599 679573311 /nfs/dbraw/zinc/57/33/11/679573311.db2.gz LNAGJQPSPCLJJS-MGPQQGTHSA-N 1 2 350.423 -1.302 20 0 FAADLO C[C@@H]1CCCN(C(=O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3nccn3)C2)C1 ZINC001077065599 679573308 /nfs/dbraw/zinc/57/33/08/679573308.db2.gz LNAGJQPSPCLJJS-MGPQQGTHSA-N 1 2 350.423 -1.302 20 0 FAADLO O=C(Cn1nccn1)N[C@@H]1C[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001077065680 679573406 /nfs/dbraw/zinc/57/34/06/679573406.db2.gz PVSGLFRVZRMVER-JHJVBQTASA-N 1 2 357.436 -1.736 20 0 FAADLO O=C(Cn1nccn1)N[C@@H]1C[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001077065680 679573401 /nfs/dbraw/zinc/57/34/01/679573401.db2.gz PVSGLFRVZRMVER-JHJVBQTASA-N 1 2 357.436 -1.736 20 0 FAADLO O=C(Cn1nccn1)N[C@@H]1C[N@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001077065681 679573433 /nfs/dbraw/zinc/57/34/33/679573433.db2.gz PVSGLFRVZRMVER-YNEHKIRRSA-N 1 2 357.436 -1.736 20 0 FAADLO O=C(Cn1nccn1)N[C@@H]1C[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001077065681 679573431 /nfs/dbraw/zinc/57/34/31/679573431.db2.gz PVSGLFRVZRMVER-YNEHKIRRSA-N 1 2 357.436 -1.736 20 0 FAADLO O=C(Cn1nccn1)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001077065783 679573249 /nfs/dbraw/zinc/57/32/49/679573249.db2.gz VPNBMBHFLLQAHT-VXGBXAGGSA-N 1 2 358.424 -2.525 20 0 FAADLO O=C(Cn1nccn1)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001077065783 679573246 /nfs/dbraw/zinc/57/32/46/679573246.db2.gz VPNBMBHFLLQAHT-VXGBXAGGSA-N 1 2 358.424 -2.525 20 0 FAADLO O=C(Cn1nccn1)N[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@H]1O ZINC001077065865 679573461 /nfs/dbraw/zinc/57/34/61/679573461.db2.gz ZYBIIIOMGGYXJO-ZIAGYGMSSA-N 1 2 350.423 -1.158 20 0 FAADLO O=C(Cn1nccn1)N[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@H]1O ZINC001077065865 679573458 /nfs/dbraw/zinc/57/34/58/679573458.db2.gz ZYBIIIOMGGYXJO-ZIAGYGMSSA-N 1 2 350.423 -1.158 20 0 FAADLO O=C(N[C@@H]1C[N@@H+](C[C@@H](O)CN2C(=O)CCC2=O)C[C@H]1O)c1ccns1 ZINC001077078269 679573479 /nfs/dbraw/zinc/57/34/79/679573479.db2.gz CKCLAIIQXLSZNI-GMTAPVOTSA-N 1 2 368.415 -1.572 20 0 FAADLO 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C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001077142175 679578260 /nfs/dbraw/zinc/57/82/60/679578260.db2.gz VTUPOIQMXOLQHB-RAIGVLPGSA-N 1 2 354.407 -2.326 20 0 FAADLO Cc1nn(C)cc1CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001077146020 679577562 /nfs/dbraw/zinc/57/75/62/679577562.db2.gz ZVVPFUFGXWIXNE-BPLDGKMQSA-N 1 2 370.475 -1.133 20 0 FAADLO Cc1nn(C)cc1CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001077146020 679577558 /nfs/dbraw/zinc/57/75/58/679577558.db2.gz ZVVPFUFGXWIXNE-BPLDGKMQSA-N 1 2 370.475 -1.133 20 0 FAADLO Cc1nn(C)cc1CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001077146021 679577350 /nfs/dbraw/zinc/57/73/50/679577350.db2.gz ZVVPFUFGXWIXNE-NWANDNLSSA-N 1 2 370.475 -1.133 20 0 FAADLO Cc1nn(C)cc1CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001077146021 679577345 /nfs/dbraw/zinc/57/73/45/679577345.db2.gz ZVVPFUFGXWIXNE-NWANDNLSSA-N 1 2 370.475 -1.133 20 0 FAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c(cn2)OCCO3)C1 ZINC001077151927 679578540 /nfs/dbraw/zinc/57/85/40/679578540.db2.gz MQHCTEUJDYNZEG-GRYCIOLGSA-N 1 2 350.375 -1.108 20 0 FAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c(cn2)OCCO3)C1 ZINC001077151927 679578536 /nfs/dbraw/zinc/57/85/36/679578536.db2.gz MQHCTEUJDYNZEG-GRYCIOLGSA-N 1 2 350.375 -1.108 20 0 FAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c(cn2)OCCO3)C1 ZINC001077151928 679578395 /nfs/dbraw/zinc/57/83/95/679578395.db2.gz MQHCTEUJDYNZEG-IJLUTSLNSA-N 1 2 350.375 -1.108 20 0 FAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c(cn2)OCCO3)C1 ZINC001077151928 679578393 /nfs/dbraw/zinc/57/83/93/679578393.db2.gz MQHCTEUJDYNZEG-IJLUTSLNSA-N 1 2 350.375 -1.108 20 0 FAADLO Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3NC(=O)NC3=O)C2)sn1 ZINC001077156415 679578975 /nfs/dbraw/zinc/57/89/75/679578975.db2.gz BMOONWMQCSHBTJ-HBNTYKKESA-N 1 2 353.404 -1.289 20 0 FAADLO Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3NC(=O)NC3=O)C2)sn1 ZINC001077156415 679578973 /nfs/dbraw/zinc/57/89/73/679578973.db2.gz BMOONWMQCSHBTJ-HBNTYKKESA-N 1 2 353.404 -1.289 20 0 FAADLO Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3NC(=O)NC3=O)C2)o1 ZINC001077156462 679579032 /nfs/dbraw/zinc/57/90/32/679579032.db2.gz FVSCCLXAEGZHHU-HBNTYKKESA-N 1 2 351.363 -1.449 20 0 FAADLO Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3NC(=O)NC3=O)C2)o1 ZINC001077156462 679579028 /nfs/dbraw/zinc/57/90/28/679579028.db2.gz FVSCCLXAEGZHHU-HBNTYKKESA-N 1 2 351.363 -1.449 20 0 FAADLO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001077156751 679578798 /nfs/dbraw/zinc/57/87/98/679578798.db2.gz LIOIUTNINMSVJH-HBNTYKKESA-N 1 2 353.379 -2.632 20 0 FAADLO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001077156751 679578792 /nfs/dbraw/zinc/57/87/92/679578792.db2.gz LIOIUTNINMSVJH-HBNTYKKESA-N 1 2 353.379 -2.632 20 0 FAADLO CCc1nocc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001077156788 679578781 /nfs/dbraw/zinc/57/87/81/679578781.db2.gz MDMDWZYYKQWKHL-QJPTWQEYSA-N 1 2 351.363 -1.504 20 0 FAADLO CCc1nocc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001077156788 679578776 /nfs/dbraw/zinc/57/87/76/679578776.db2.gz MDMDWZYYKQWKHL-QJPTWQEYSA-N 1 2 351.363 -1.504 20 0 FAADLO Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3NC(=O)NC3=O)C2)s1 ZINC001077157062 679579054 /nfs/dbraw/zinc/57/90/54/679579054.db2.gz QRMKXGCVBZVXKS-HBNTYKKESA-N 1 2 353.404 -1.289 20 0 FAADLO Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3NC(=O)NC3=O)C2)s1 ZINC001077157062 679579052 /nfs/dbraw/zinc/57/90/52/679579052.db2.gz QRMKXGCVBZVXKS-HBNTYKKESA-N 1 2 353.404 -1.289 20 0 FAADLO CN(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1)C1CC1 ZINC001077157088 679578897 /nfs/dbraw/zinc/57/88/97/679578897.db2.gz RPLSEAFYEXZDLT-HBNTYKKESA-N 1 2 353.379 -2.633 20 0 FAADLO CN(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1)C1CC1 ZINC001077157088 679578893 /nfs/dbraw/zinc/57/88/93/679578893.db2.gz RPLSEAFYEXZDLT-HBNTYKKESA-N 1 2 353.379 -2.633 20 0 FAADLO Cc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001077157165 679579354 /nfs/dbraw/zinc/57/93/54/679579354.db2.gz WDKULJWZGOMVNK-QJPTWQEYSA-N 1 2 351.363 -1.449 20 0 FAADLO Cc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001077157165 679579349 /nfs/dbraw/zinc/57/93/49/679579349.db2.gz WDKULJWZGOMVNK-QJPTWQEYSA-N 1 2 351.363 -1.449 20 0 FAADLO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1O ZINC001077157198 679579329 /nfs/dbraw/zinc/57/93/29/679579329.db2.gz YDCVPLDDQSNCGC-HBNTYKKESA-N 1 2 370.797 -1.704 20 0 FAADLO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1O ZINC001077157198 679579325 /nfs/dbraw/zinc/57/93/25/679579325.db2.gz YDCVPLDDQSNCGC-HBNTYKKESA-N 1 2 370.797 -1.704 20 0 FAADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1O ZINC001077161290 679579300 /nfs/dbraw/zinc/57/93/00/679579300.db2.gz ROUHSRJCWDGXDN-NHIYQJMISA-N 1 2 355.435 -1.036 20 0 FAADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1O ZINC001077161290 679579297 /nfs/dbraw/zinc/57/92/97/679579297.db2.gz ROUHSRJCWDGXDN-NHIYQJMISA-N 1 2 355.435 -1.036 20 0 FAADLO Cn1cnc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]2O)cc1=O ZINC001077162405 679579067 /nfs/dbraw/zinc/57/90/67/679579067.db2.gz UFBKAISZHUBFAW-CYZMBNFOSA-N 1 2 370.431 -2.010 20 0 FAADLO Cn1cnc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]2O)cc1=O ZINC001077162405 679579064 /nfs/dbraw/zinc/57/90/64/679579064.db2.gz UFBKAISZHUBFAW-CYZMBNFOSA-N 1 2 370.431 -2.010 20 0 FAADLO Cn1cnc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]2O)cc1=O ZINC001077162406 679578866 /nfs/dbraw/zinc/57/88/66/679578866.db2.gz UFBKAISZHUBFAW-RAIGVLPGSA-N 1 2 370.431 -2.010 20 0 FAADLO Cn1cnc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]2O)cc1=O ZINC001077162406 679578863 /nfs/dbraw/zinc/57/88/63/679578863.db2.gz UFBKAISZHUBFAW-RAIGVLPGSA-N 1 2 370.431 -2.010 20 0 FAADLO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3n2CCOC3)C1 ZINC001077169486 679579411 /nfs/dbraw/zinc/57/94/11/679579411.db2.gz CNJNOXWQVVFSIJ-DMDPSCGWSA-N 1 2 351.407 -1.335 20 0 FAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3n2CCOC3)C1 ZINC001077169486 679579407 /nfs/dbraw/zinc/57/94/07/679579407.db2.gz CNJNOXWQVVFSIJ-DMDPSCGWSA-N 1 2 351.407 -1.335 20 0 FAADLO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3n2CCOC3)C1 ZINC001077169498 679579481 /nfs/dbraw/zinc/57/94/81/679579481.db2.gz CNJNOXWQVVFSIJ-NQBHXWOUSA-N 1 2 351.407 -1.335 20 0 FAADLO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3n2CCOC3)C1 ZINC001077169498 679579476 /nfs/dbraw/zinc/57/94/76/679579476.db2.gz CNJNOXWQVVFSIJ-NQBHXWOUSA-N 1 2 351.407 -1.335 20 0 FAADLO O=C(C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCNC2=O)C1)N1CCCCC1 ZINC001077174252 679580667 /nfs/dbraw/zinc/58/06/67/679580667.db2.gz JNSUMZDSBKAKBE-BFHYXJOUSA-N 1 2 352.435 -1.314 20 0 FAADLO O=C(C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCNC2=O)C1)N1CCCCC1 ZINC001077174252 679580666 /nfs/dbraw/zinc/58/06/66/679580666.db2.gz JNSUMZDSBKAKBE-BFHYXJOUSA-N 1 2 352.435 -1.314 20 0 FAADLO O=C(C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCNC2=O)C1)N1CCCCC1 ZINC001077174254 679580429 /nfs/dbraw/zinc/58/04/29/679580429.db2.gz JNSUMZDSBKAKBE-MGPQQGTHSA-N 1 2 352.435 -1.314 20 0 FAADLO O=C(C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCNC2=O)C1)N1CCCCC1 ZINC001077174254 679580427 /nfs/dbraw/zinc/58/04/27/679580427.db2.gz JNSUMZDSBKAKBE-MGPQQGTHSA-N 1 2 352.435 -1.314 20 0 FAADLO Cc1csc(=O)n1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001077175242 679579506 /nfs/dbraw/zinc/57/95/06/679579506.db2.gz ABQNQTRTQMSXML-JHJVBQTASA-N 1 2 368.459 -1.094 20 0 FAADLO Cc1csc(=O)n1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001077175242 679579503 /nfs/dbraw/zinc/57/95/03/679579503.db2.gz ABQNQTRTQMSXML-JHJVBQTASA-N 1 2 368.459 -1.094 20 0 FAADLO Cc1csc(=O)n1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCNC2=O)C1 ZINC001077175243 679579566 /nfs/dbraw/zinc/57/95/66/679579566.db2.gz ABQNQTRTQMSXML-YNEHKIRRSA-N 1 2 368.459 -1.094 20 0 FAADLO Cc1csc(=O)n1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCNC2=O)C1 ZINC001077175243 679579559 /nfs/dbraw/zinc/57/95/59/679579559.db2.gz ABQNQTRTQMSXML-YNEHKIRRSA-N 1 2 368.459 -1.094 20 0 FAADLO CCn1nnc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCNC2=O)C1 ZINC001077175527 679580214 /nfs/dbraw/zinc/58/02/14/679580214.db2.gz HKEMJYHJIMAVGV-OUCADQQQSA-N 1 2 350.423 -1.206 20 0 FAADLO CCn1nnc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCNC2=O)C1 ZINC001077175527 679580210 /nfs/dbraw/zinc/58/02/10/679580210.db2.gz HKEMJYHJIMAVGV-OUCADQQQSA-N 1 2 350.423 -1.206 20 0 FAADLO 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CS(=O)(=O)CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001077251445 679583648 /nfs/dbraw/zinc/58/36/48/679583648.db2.gz DDDDFTZYGCABHR-MRVWCRGKSA-N 1 2 356.448 -1.349 20 0 FAADLO NS(=O)(=O)c1cc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)co1 ZINC001077251582 679583673 /nfs/dbraw/zinc/58/36/73/679583673.db2.gz GZWNOMKPSNBVCM-GHMZBOCLSA-N 1 2 370.391 -2.006 20 0 FAADLO NS(=O)(=O)c1cc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)co1 ZINC001077251582 679583672 /nfs/dbraw/zinc/58/36/72/679583672.db2.gz GZWNOMKPSNBVCM-GHMZBOCLSA-N 1 2 370.391 -2.006 20 0 FAADLO Cn1c[nH+]cc1CN1C[C@@H](O)[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001077254108 679583354 /nfs/dbraw/zinc/58/33/54/679583354.db2.gz LWRUMFLEEAARCU-VXGBXAGGSA-N 1 2 369.403 -1.364 20 0 FAADLO COCc1nn(C)cc1C(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001077255541 679583387 /nfs/dbraw/zinc/58/33/87/679583387.db2.gz GELYSJRWZQFQJF-KWCYVHTRSA-N 1 2 351.407 -1.428 20 0 FAADLO COCc1nn(C)cc1C(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001077255541 679583383 /nfs/dbraw/zinc/58/33/83/679583383.db2.gz GELYSJRWZQFQJF-KWCYVHTRSA-N 1 2 351.407 -1.428 20 0 FAADLO COCc1nn(C)cc1C(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001077255542 679583267 /nfs/dbraw/zinc/58/32/67/679583267.db2.gz GELYSJRWZQFQJF-MRVWCRGKSA-N 1 2 351.407 -1.428 20 0 FAADLO COCc1nn(C)cc1C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001077255542 679583263 /nfs/dbraw/zinc/58/32/63/679583263.db2.gz GELYSJRWZQFQJF-MRVWCRGKSA-N 1 2 351.407 -1.428 20 0 FAADLO COCc1nn(C)cc1C(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001077255697 679583366 /nfs/dbraw/zinc/58/33/66/679583366.db2.gz MPRRIXKOXBJLQE-KWCYVHTRSA-N 1 2 351.407 -1.380 20 0 FAADLO COCc1nn(C)cc1C(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001077255697 679583362 /nfs/dbraw/zinc/58/33/62/679583362.db2.gz MPRRIXKOXBJLQE-KWCYVHTRSA-N 1 2 351.407 -1.380 20 0 FAADLO COCc1nn(C)cc1C(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001077255698 679583434 /nfs/dbraw/zinc/58/34/34/679583434.db2.gz MPRRIXKOXBJLQE-MRVWCRGKSA-N 1 2 351.407 -1.380 20 0 FAADLO COCc1nn(C)cc1C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001077255698 679583430 /nfs/dbraw/zinc/58/34/30/679583430.db2.gz MPRRIXKOXBJLQE-MRVWCRGKSA-N 1 2 351.407 -1.380 20 0 FAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001077255773 679583659 /nfs/dbraw/zinc/58/36/59/679583659.db2.gz PKIXWCJMNOIQBU-GMTAPVOTSA-N 1 2 352.395 -2.204 20 0 FAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001077255773 679583657 /nfs/dbraw/zinc/58/36/57/679583657.db2.gz PKIXWCJMNOIQBU-GMTAPVOTSA-N 1 2 352.395 -2.204 20 0 FAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001077255774 679583668 /nfs/dbraw/zinc/58/36/68/679583668.db2.gz PKIXWCJMNOIQBU-HBNTYKKESA-N 1 2 352.395 -2.204 20 0 FAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001077255774 679583666 /nfs/dbraw/zinc/58/36/66/679583666.db2.gz PKIXWCJMNOIQBU-HBNTYKKESA-N 1 2 352.395 -2.204 20 0 FAADLO COCc1nn(C)cc1C(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]1O ZINC001077255863 679583722 /nfs/dbraw/zinc/58/37/22/679583722.db2.gz RRZFIKAMXMXSRI-MPKXVKKWSA-N 1 2 353.423 -1.182 20 0 FAADLO COCc1nn(C)cc1C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]1O ZINC001077255863 679583720 /nfs/dbraw/zinc/58/37/20/679583720.db2.gz RRZFIKAMXMXSRI-MPKXVKKWSA-N 1 2 353.423 -1.182 20 0 FAADLO COCc1nn(C)cc1C(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1O ZINC001077255864 679583766 /nfs/dbraw/zinc/58/37/66/679583766.db2.gz RRZFIKAMXMXSRI-ZKYQVNSYSA-N 1 2 353.423 -1.182 20 0 FAADLO COCc1nn(C)cc1C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1O ZINC001077255864 679583762 /nfs/dbraw/zinc/58/37/62/679583762.db2.gz RRZFIKAMXMXSRI-ZKYQVNSYSA-N 1 2 353.423 -1.182 20 0 FAADLO CS(=O)(=O)CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001077257948 679584418 /nfs/dbraw/zinc/58/44/18/679584418.db2.gz JSLPTABSDWTFKL-JHJVBQTASA-N 1 2 356.448 -1.349 20 0 FAADLO CS(=O)(=O)CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001077257949 679584451 /nfs/dbraw/zinc/58/44/51/679584451.db2.gz JSLPTABSDWTFKL-YNEHKIRRSA-N 1 2 356.448 -1.349 20 0 FAADLO CS(=O)(=O)CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001077259144 679584661 /nfs/dbraw/zinc/58/46/61/679584661.db2.gz JAIGFHFPPBTLIA-JHJVBQTASA-N 1 2 356.448 -1.349 20 0 FAADLO CS(=O)(=O)CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001077259145 679584538 /nfs/dbraw/zinc/58/45/38/679584538.db2.gz JAIGFHFPPBTLIA-YNEHKIRRSA-N 1 2 356.448 -1.349 20 0 FAADLO CS(=O)(=O)CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001077259535 679584375 /nfs/dbraw/zinc/58/43/75/679584375.db2.gz UUGHRWHEYJADBT-IACUBPJLSA-N 1 2 356.448 -1.349 20 0 FAADLO CS(=O)(=O)CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001077259536 679584550 /nfs/dbraw/zinc/58/45/50/679584550.db2.gz UUGHRWHEYJADBT-MRVWCRGKSA-N 1 2 356.448 -1.349 20 0 FAADLO CN1CCN(CC(=O)N[C@@H]2C[N@@H+](Cc3cncs3)C[C@H]2O)CC1=O ZINC001077260283 679584596 /nfs/dbraw/zinc/58/45/96/679584596.db2.gz AGXXSBRUDOKIDN-CHWSQXEVSA-N 1 2 353.448 -1.422 20 0 FAADLO CN1CCN(CC(=O)N[C@@H]2C[N@H+](Cc3cncs3)C[C@H]2O)CC1=O ZINC001077260283 679584594 /nfs/dbraw/zinc/58/45/94/679584594.db2.gz AGXXSBRUDOKIDN-CHWSQXEVSA-N 1 2 353.448 -1.422 20 0 FAADLO Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CN3CCN(C)C(=O)C3)C2)s1 ZINC001077260297 679584587 /nfs/dbraw/zinc/58/45/87/679584587.db2.gz AZILBXVITHFEMC-ZIAGYGMSSA-N 1 2 367.475 -1.113 20 0 FAADLO Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CN3CCN(C)C(=O)C3)C2)s1 ZINC001077260297 679584583 /nfs/dbraw/zinc/58/45/83/679584583.db2.gz AZILBXVITHFEMC-ZIAGYGMSSA-N 1 2 367.475 -1.113 20 0 FAADLO Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CN3CCN(C)C(=O)C3)C2)sn1 ZINC001077260353 679584613 /nfs/dbraw/zinc/58/46/13/679584613.db2.gz CUFQUFVEDCIIRH-ZIAGYGMSSA-N 1 2 367.475 -1.113 20 0 FAADLO Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CN3CCN(C)C(=O)C3)C2)sn1 ZINC001077260353 679584610 /nfs/dbraw/zinc/58/46/10/679584610.db2.gz CUFQUFVEDCIIRH-ZIAGYGMSSA-N 1 2 367.475 -1.113 20 0 FAADLO Cc1oncc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001077260414 679584629 /nfs/dbraw/zinc/58/46/29/679584629.db2.gz FXODKILUSSHCBJ-ZIAGYGMSSA-N 1 2 351.407 -1.582 20 0 FAADLO Cc1oncc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001077260414 679584626 /nfs/dbraw/zinc/58/46/26/679584626.db2.gz FXODKILUSSHCBJ-ZIAGYGMSSA-N 1 2 351.407 -1.582 20 0 FAADLO Cn1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CN3CCN(C)C(=O)C3)C2)cn1 ZINC001077260481 679584464 /nfs/dbraw/zinc/58/44/64/679584464.db2.gz IXWRRZPWHZBPMP-ZIAGYGMSSA-N 1 2 350.423 -2.145 20 0 FAADLO Cn1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CN3CCN(C)C(=O)C3)C2)cn1 ZINC001077260481 679584461 /nfs/dbraw/zinc/58/44/61/679584461.db2.gz IXWRRZPWHZBPMP-ZIAGYGMSSA-N 1 2 350.423 -2.145 20 0 FAADLO Cn1c[nH+]cc1CN1C[C@@H](O)[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001077260482 679584434 /nfs/dbraw/zinc/58/44/34/679584434.db2.gz IYMMSEKZKHEPSC-ZIAGYGMSSA-N 1 2 350.423 -2.145 20 0 FAADLO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001077260628 679585002 /nfs/dbraw/zinc/58/50/02/679585002.db2.gz OBCOTFPUYRGPQC-JHJVBQTASA-N 1 2 355.439 -2.602 20 0 FAADLO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001077260628 679585000 /nfs/dbraw/zinc/58/50/00/679585000.db2.gz OBCOTFPUYRGPQC-JHJVBQTASA-N 1 2 355.439 -2.602 20 0 FAADLO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001077260629 679585052 /nfs/dbraw/zinc/58/50/52/679585052.db2.gz OBCOTFPUYRGPQC-YNEHKIRRSA-N 1 2 355.439 -2.602 20 0 FAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001077260629 679585051 /nfs/dbraw/zinc/58/50/51/679585051.db2.gz OBCOTFPUYRGPQC-YNEHKIRRSA-N 1 2 355.439 -2.602 20 0 FAADLO CN1CCN(CC(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2O)CC1=O ZINC001077260659 679585113 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Cn1nccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001077260837 679585069 /nfs/dbraw/zinc/58/50/69/679585069.db2.gz YFBWCLPBXSEJEU-ZIAGYGMSSA-N 1 2 350.423 -2.145 20 0 FAADLO Cn1nccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001077260837 679585065 /nfs/dbraw/zinc/58/50/65/679585065.db2.gz YFBWCLPBXSEJEU-ZIAGYGMSSA-N 1 2 350.423 -2.145 20 0 FAADLO Cc1ncoc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001077260875 679584966 /nfs/dbraw/zinc/58/49/66/679584966.db2.gz ZRHGLHZWBGLSSZ-CHWSQXEVSA-N 1 2 351.407 -1.582 20 0 FAADLO Cc1ncoc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001077260875 679584964 /nfs/dbraw/zinc/58/49/64/679584964.db2.gz ZRHGLHZWBGLSSZ-CHWSQXEVSA-N 1 2 351.407 -1.582 20 0 FAADLO Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3ncn(C)c3=O)C2)sn1 ZINC001077264048 679585141 /nfs/dbraw/zinc/58/51/41/679585141.db2.gz AXNOOKGNAKDTIL-VXGBXAGGSA-N 1 2 352.420 -1.292 20 0 FAADLO Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3ncn(C)c3=O)C2)sn1 ZINC001077264048 679585138 /nfs/dbraw/zinc/58/51/38/679585138.db2.gz AXNOOKGNAKDTIL-VXGBXAGGSA-N 1 2 352.420 -1.292 20 0 FAADLO Cn1cnn(CC(=O)N[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]2O)c1=O ZINC001077264271 679585392 /nfs/dbraw/zinc/58/53/92/679585392.db2.gz MQZORDIEIBEUAB-KXUCPTDWSA-N 1 2 352.351 -3.452 20 0 FAADLO Cn1cnn(CC(=O)N[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]2O)c1=O ZINC001077264271 679585391 /nfs/dbraw/zinc/58/53/91/679585391.db2.gz MQZORDIEIBEUAB-KXUCPTDWSA-N 1 2 352.351 -3.452 20 0 FAADLO Cn1cnn(CC(=O)N[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]2O)c1=O ZINC001077264272 679585591 /nfs/dbraw/zinc/58/55/91/679585591.db2.gz MQZORDIEIBEUAB-OPRDCNLKSA-N 1 2 352.351 -3.452 20 0 FAADLO Cn1cnn(CC(=O)N[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]2O)c1=O ZINC001077264272 679585587 /nfs/dbraw/zinc/58/55/87/679585587.db2.gz MQZORDIEIBEUAB-OPRDCNLKSA-N 1 2 352.351 -3.452 20 0 FAADLO Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3ncn(C)c3=O)C2)o1 ZINC001077264326 679585404 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PPAMUDWLNNWDCQ-IJLUTSLNSA-N 1 2 352.395 -2.636 20 0 FAADLO CCc1nocc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001077264352 679585524 /nfs/dbraw/zinc/58/55/24/679585524.db2.gz PZMDQBFPJLJXCX-CHWSQXEVSA-N 1 2 350.379 -1.506 20 0 FAADLO CCc1nocc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001077264352 679585522 /nfs/dbraw/zinc/58/55/22/679585522.db2.gz PZMDQBFPJLJXCX-CHWSQXEVSA-N 1 2 350.379 -1.506 20 0 FAADLO Cn1cnn(CC(=O)N[C@@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@H]2O)c1=O ZINC001077264452 679585510 /nfs/dbraw/zinc/58/55/10/679585510.db2.gz VKKMEICEVKDLIE-VXGBXAGGSA-N 1 2 369.813 -1.707 20 0 FAADLO Cn1cnn(CC(=O)N[C@@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@H]2O)c1=O ZINC001077264452 679585509 /nfs/dbraw/zinc/58/55/09/679585509.db2.gz VKKMEICEVKDLIE-VXGBXAGGSA-N 1 2 369.813 -1.707 20 0 FAADLO Cc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001077264455 679585485 /nfs/dbraw/zinc/58/54/85/679585485.db2.gz VQXZKWCGSVZCBM-CHWSQXEVSA-N 1 2 350.379 -1.452 20 0 FAADLO Cc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001077264455 679585482 /nfs/dbraw/zinc/58/54/82/679585482.db2.gz VQXZKWCGSVZCBM-CHWSQXEVSA-N 1 2 350.379 -1.452 20 0 FAADLO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001077264466 679585518 /nfs/dbraw/zinc/58/55/18/679585518.db2.gz WFNZFSLHPYYFKJ-MVWJERBFSA-N 1 2 352.395 -2.590 20 0 FAADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001077264466 679585516 /nfs/dbraw/zinc/58/55/16/679585516.db2.gz WFNZFSLHPYYFKJ-MVWJERBFSA-N 1 2 352.395 -2.590 20 0 FAADLO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001077264467 679585424 /nfs/dbraw/zinc/58/54/24/679585424.db2.gz WFNZFSLHPYYFKJ-YUSALJHKSA-N 1 2 352.395 -2.590 20 0 FAADLO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001077264467 679585422 /nfs/dbraw/zinc/58/54/22/679585422.db2.gz WFNZFSLHPYYFKJ-YUSALJHKSA-N 1 2 352.395 -2.590 20 0 FAADLO Cn1cnn(CC(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]2O)c1=O ZINC001077264471 679585630 /nfs/dbraw/zinc/58/56/30/679585630.db2.gz WIAZUCHYHGGWEZ-VXGBXAGGSA-N 1 2 352.395 -2.635 20 0 FAADLO Cn1cnn(CC(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]2O)c1=O ZINC001077264471 679585626 /nfs/dbraw/zinc/58/56/26/679585626.db2.gz WIAZUCHYHGGWEZ-VXGBXAGGSA-N 1 2 352.395 -2.635 20 0 FAADLO Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3ncn(C)c3=O)C2)s1 ZINC001077264493 679585465 /nfs/dbraw/zinc/58/54/65/679585465.db2.gz XQQOVJAOOZVNII-VXGBXAGGSA-N 1 2 352.420 -1.292 20 0 FAADLO Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3ncn(C)c3=O)C2)s1 ZINC001077264493 679585463 /nfs/dbraw/zinc/58/54/63/679585463.db2.gz XQQOVJAOOZVNII-VXGBXAGGSA-N 1 2 352.420 -1.292 20 0 FAADLO CN(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncn(C)c2=O)C1)C1CC1 ZINC001077265497 679586117 /nfs/dbraw/zinc/58/61/17/679586117.db2.gz UOLXLWYACCXEAY-VXGBXAGGSA-N 1 2 352.395 -2.636 20 0 FAADLO CN(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncn(C)c2=O)C1)C1CC1 ZINC001077265497 679586115 /nfs/dbraw/zinc/58/61/15/679586115.db2.gz UOLXLWYACCXEAY-VXGBXAGGSA-N 1 2 352.395 -2.636 20 0 FAADLO CCN1CCOC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001077265499 679585857 /nfs/dbraw/zinc/58/58/57/679585857.db2.gz UTXRFIPHANOFEX-QLFBSQMISA-N 1 2 354.451 -1.509 20 0 FAADLO CCN1CCOC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001077265499 679585852 /nfs/dbraw/zinc/58/58/52/679585852.db2.gz UTXRFIPHANOFEX-QLFBSQMISA-N 1 2 354.451 -1.509 20 0 FAADLO CCN1CCOC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001077265500 679585937 /nfs/dbraw/zinc/58/59/37/679585937.db2.gz UTXRFIPHANOFEX-RBSFLKMASA-N 1 2 354.451 -1.509 20 0 FAADLO CCN1CCOC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001077265500 679585932 /nfs/dbraw/zinc/58/59/32/679585932.db2.gz UTXRFIPHANOFEX-RBSFLKMASA-N 1 2 354.451 -1.509 20 0 FAADLO CCN1CCOC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1O ZINC001077265582 679586126 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BRNKBDWTVPLJRY-MGPQQGTHSA-N 1 2 351.407 -1.210 20 0 FAADLO C[C@H](C(=O)N(C)C)N1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001077275054 679586000 /nfs/dbraw/zinc/58/60/00/679586000.db2.gz PJCBQQSCFRNGCB-LERXQTSPSA-N 1 2 353.423 -1.012 20 0 FAADLO C[C@@H](C(=O)N(C)C)N1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001077275055 679586067 /nfs/dbraw/zinc/58/60/67/679586067.db2.gz PJCBQQSCFRNGCB-ZLKJLUDKSA-N 1 2 353.423 -1.012 20 0 FAADLO CN1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)c3cc(C[NH+](C)C)on3)C2)C1=O ZINC001077275083 679586305 /nfs/dbraw/zinc/58/63/05/679586305.db2.gz RCWPSKPNFSSMBG-HZSPNIEDSA-N 1 2 351.407 -1.258 20 0 FAADLO CN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)c3cc(C[NH+](C)C)on3)C2)C1=O ZINC001077275084 679586443 /nfs/dbraw/zinc/58/64/43/679586443.db2.gz RCWPSKPNFSSMBG-MGPQQGTHSA-N 1 2 351.407 -1.258 20 0 FAADLO O=C(N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O)c1cnn(CCF)c1 ZINC001077276210 679586548 /nfs/dbraw/zinc/58/65/48/679586548.db2.gz RXPYLBJNULIPEM-GRYCIOLGSA-N 1 2 353.354 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ZUXNRATZDFYKLL-IJLUTSLNSA-N 1 2 362.452 -2.163 20 0 FAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCCS2(=O)=O)C1 ZINC001077394056 679593512 /nfs/dbraw/zinc/59/35/12/679593512.db2.gz ZUXNRATZDFYKLL-IJLUTSLNSA-N 1 2 362.452 -2.163 20 0 FAADLO CCOc1cc(C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2O)on1 ZINC001077400617 679593394 /nfs/dbraw/zinc/59/33/94/679593394.db2.gz KKWNNUJWOUIZCX-GHMZBOCLSA-N 1 2 353.379 -1.127 20 0 FAADLO CCOc1cc(C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2O)on1 ZINC001077400617 679593390 /nfs/dbraw/zinc/59/33/90/679593390.db2.gz KKWNNUJWOUIZCX-GHMZBOCLSA-N 1 2 353.379 -1.127 20 0 FAADLO O=C(Cc1ccc(=O)[nH]c1)N[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001077403908 679593549 /nfs/dbraw/zinc/59/35/49/679593549.db2.gz JVVSTLXSCQZGEB-BFHYXJOUSA-N 1 2 369.443 -1.074 20 0 FAADLO O=C(Cc1ccc(=O)[nH]c1)N[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001077403908 679593547 /nfs/dbraw/zinc/59/35/47/679593547.db2.gz JVVSTLXSCQZGEB-BFHYXJOUSA-N 1 2 369.443 -1.074 20 0 FAADLO O=C(Cc1ccc(=O)[nH]c1)N[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001077403909 679593868 /nfs/dbraw/zinc/59/38/68/679593868.db2.gz JVVSTLXSCQZGEB-MGPQQGTHSA-N 1 2 369.443 -1.074 20 0 FAADLO O=C(Cc1ccc(=O)[nH]c1)N[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001077403909 679593863 /nfs/dbraw/zinc/59/38/63/679593863.db2.gz JVVSTLXSCQZGEB-MGPQQGTHSA-N 1 2 369.443 -1.074 20 0 FAADLO O=C(N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O)c1cc(F)c[nH]1 ZINC001077405914 679593928 /nfs/dbraw/zinc/59/39/28/679593928.db2.gz GSKAPFMJVYPTJB-CHWSQXEVSA-N 1 2 360.411 -1.036 20 0 FAADLO O=C(N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O)c1cc(F)c[nH]1 ZINC001077405914 679593924 /nfs/dbraw/zinc/59/39/24/679593924.db2.gz GSKAPFMJVYPTJB-CHWSQXEVSA-N 1 2 360.411 -1.036 20 0 FAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nncn3CC2)C1 ZINC001077410881 679593660 /nfs/dbraw/zinc/59/36/60/679593660.db2.gz GYIFUHQLDWMALQ-JHJVBQTASA-N 1 2 350.423 -1.520 20 0 FAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nncn3CC2)C1 ZINC001077410881 679593657 /nfs/dbraw/zinc/59/36/57/679593657.db2.gz GYIFUHQLDWMALQ-JHJVBQTASA-N 1 2 350.423 -1.520 20 0 FAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nncn3CC2)C1 ZINC001077410882 679593565 /nfs/dbraw/zinc/59/35/65/679593565.db2.gz GYIFUHQLDWMALQ-YNEHKIRRSA-N 1 2 350.423 -1.520 20 0 FAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nncn3CC2)C1 ZINC001077410882 679593562 /nfs/dbraw/zinc/59/35/62/679593562.db2.gz GYIFUHQLDWMALQ-YNEHKIRRSA-N 1 2 350.423 -1.520 20 0 FAADLO Cn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]2O)ncc1=O ZINC001077413445 679594048 /nfs/dbraw/zinc/59/40/48/679594048.db2.gz XOCIFNIISKKABP-DMDPSCGWSA-N 1 2 370.431 -2.010 20 0 FAADLO Cn1cc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]2O)ncc1=O ZINC001077413445 679594044 /nfs/dbraw/zinc/59/40/44/679594044.db2.gz XOCIFNIISKKABP-DMDPSCGWSA-N 1 2 370.431 -2.010 20 0 FAADLO Cn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]2O)ncc1=O ZINC001077413446 679594071 /nfs/dbraw/zinc/59/40/71/679594071.db2.gz XOCIFNIISKKABP-NQBHXWOUSA-N 1 2 370.431 -2.010 20 0 FAADLO Cn1cc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]2O)ncc1=O ZINC001077413446 679594068 /nfs/dbraw/zinc/59/40/68/679594068.db2.gz XOCIFNIISKKABP-NQBHXWOUSA-N 1 2 370.431 -2.010 20 0 FAADLO CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001077421895 679593988 /nfs/dbraw/zinc/59/39/88/679593988.db2.gz YGHQYMWZXCICFA-TUVASFSCSA-N 1 2 355.435 -1.178 20 0 FAADLO CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001077421895 679593987 /nfs/dbraw/zinc/59/39/87/679593987.db2.gz YGHQYMWZXCICFA-TUVASFSCSA-N 1 2 355.435 -1.178 20 0 FAADLO CCn1cc(CC(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]2O)nn1 ZINC001077426806 679600073 /nfs/dbraw/zinc/60/00/73/679600073.db2.gz DBFDKLLWJAWDAT-ZIAGYGMSSA-N 1 2 350.423 -1.376 20 0 FAADLO CCn1cc(CC(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]2O)nn1 ZINC001077426806 679600070 /nfs/dbraw/zinc/60/00/70/679600070.db2.gz DBFDKLLWJAWDAT-ZIAGYGMSSA-N 1 2 350.423 -1.376 20 0 FAADLO Cn1c[nH+]cc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001077427041 679599955 /nfs/dbraw/zinc/59/99/55/679599955.db2.gz OVDMZLKWJHCMOX-GRYCIOLGSA-N 1 2 371.419 -3.005 20 0 FAADLO O=C(N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001077427064 679599943 /nfs/dbraw/zinc/59/99/43/679599943.db2.gz PVZXODBODRNKAU-HZSPNIEDSA-N 1 2 371.459 -1.439 20 0 FAADLO O=C(N[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001077427064 679599940 /nfs/dbraw/zinc/59/99/40/679599940.db2.gz PVZXODBODRNKAU-HZSPNIEDSA-N 1 2 371.459 -1.439 20 0 FAADLO CCn1cc(CC(=O)N[C@@H]2C[N@H+]([C@H]3CCN(CC)C3=O)C[C@H]2O)nn1 ZINC001077427097 679600733 /nfs/dbraw/zinc/60/07/33/679600733.db2.gz RWUQDRMCDBKPAR-HZSPNIEDSA-N 1 2 350.423 -1.377 20 0 FAADLO CCn1cc(CC(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(CC)C3=O)C[C@H]2O)nn1 ZINC001077427097 679600732 /nfs/dbraw/zinc/60/07/32/679600732.db2.gz RWUQDRMCDBKPAR-HZSPNIEDSA-N 1 2 350.423 -1.377 20 0 FAADLO CCn1cc(CC(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(CC)C3=O)C[C@H]2O)nn1 ZINC001077427098 679600234 /nfs/dbraw/zinc/60/02/34/679600234.db2.gz RWUQDRMCDBKPAR-MGPQQGTHSA-N 1 2 350.423 -1.377 20 0 FAADLO CCn1cc(CC(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(CC)C3=O)C[C@H]2O)nn1 ZINC001077427098 679600231 /nfs/dbraw/zinc/60/02/31/679600231.db2.gz RWUQDRMCDBKPAR-MGPQQGTHSA-N 1 2 350.423 -1.377 20 0 FAADLO CCn1cc(CC(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]2O)nn1 ZINC001077427120 679600698 /nfs/dbraw/zinc/60/06/98/679600698.db2.gz SVTFXUQWUYJTEO-IACUBPJLSA-N 1 2 371.463 -1.564 20 0 FAADLO CCn1cc(CC(=O)N[C@@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]2O)nn1 ZINC001077427120 679600695 /nfs/dbraw/zinc/60/06/95/679600695.db2.gz SVTFXUQWUYJTEO-IACUBPJLSA-N 1 2 371.463 -1.564 20 0 FAADLO CCn1cc(CC(=O)N[C@@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]2O)nn1 ZINC001077427121 679600601 /nfs/dbraw/zinc/60/06/01/679600601.db2.gz SVTFXUQWUYJTEO-MRVWCRGKSA-N 1 2 371.463 -1.564 20 0 FAADLO CCn1cc(CC(=O)N[C@@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]2O)nn1 ZINC001077427121 679600598 /nfs/dbraw/zinc/60/05/98/679600598.db2.gz SVTFXUQWUYJTEO-MRVWCRGKSA-N 1 2 371.463 -1.564 20 0 FAADLO CCn1cc(CC(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@H]2O)nn1 ZINC001077427176 679600684 /nfs/dbraw/zinc/60/06/84/679600684.db2.gz WYIVTHHTBFZAJX-ZIAGYGMSSA-N 1 2 350.423 -1.377 20 0 FAADLO CCn1cc(CC(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@H]2O)nn1 ZINC001077427176 679600680 /nfs/dbraw/zinc/60/06/80/679600680.db2.gz WYIVTHHTBFZAJX-ZIAGYGMSSA-N 1 2 350.423 -1.377 20 0 FAADLO CCn1cc(CC(=O)N[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]2O)nn1 ZINC001077427183 679600663 /nfs/dbraw/zinc/60/06/63/679600663.db2.gz XIOKQUVTKQVHQD-GRYCIOLGSA-N 1 2 350.379 -2.193 20 0 FAADLO CCn1cc(CC(=O)N[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]2O)nn1 ZINC001077427183 679600661 /nfs/dbraw/zinc/60/06/61/679600661.db2.gz XIOKQUVTKQVHQD-GRYCIOLGSA-N 1 2 350.379 -2.193 20 0 FAADLO CCn1cc(CC(=O)N[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]2O)nn1 ZINC001077427184 679600415 /nfs/dbraw/zinc/60/04/15/679600415.db2.gz XIOKQUVTKQVHQD-IJLUTSLNSA-N 1 2 350.379 -2.193 20 0 FAADLO CCn1cc(CC(=O)N[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]2O)nn1 ZINC001077427184 679600411 /nfs/dbraw/zinc/60/04/11/679600411.db2.gz XIOKQUVTKQVHQD-IJLUTSLNSA-N 1 2 350.379 -2.193 20 0 FAADLO CCn1cc(CC(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)NC3CC3)C[C@H]2O)nn1 ZINC001077428187 679601832 /nfs/dbraw/zinc/60/18/32/679601832.db2.gz RKPGRUIXRNGABO-LERXQTSPSA-N 1 2 350.423 -1.331 20 0 FAADLO CCn1cc(CC(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)NC3CC3)C[C@H]2O)nn1 ZINC001077428187 679601830 /nfs/dbraw/zinc/60/18/30/679601830.db2.gz RKPGRUIXRNGABO-LERXQTSPSA-N 1 2 350.423 -1.331 20 0 FAADLO CCn1cc(CC(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)NC3CC3)C[C@H]2O)nn1 ZINC001077428188 679601935 /nfs/dbraw/zinc/60/19/35/679601935.db2.gz RKPGRUIXRNGABO-ZLKJLUDKSA-N 1 2 350.423 -1.331 20 0 FAADLO CCn1cc(CC(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC3CC3)C[C@H]2O)nn1 ZINC001077428188 679601933 /nfs/dbraw/zinc/60/19/33/679601933.db2.gz RKPGRUIXRNGABO-ZLKJLUDKSA-N 1 2 350.423 -1.331 20 0 FAADLO Cc1nc2n(n1)C[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O)CC2 ZINC001077430252 679603182 /nfs/dbraw/zinc/60/31/82/679603182.db2.gz DYRPNETYOLGVHD-JHJVBQTASA-N 1 2 350.423 -1.602 20 0 FAADLO Cc1nc2n(n1)C[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O)CC2 ZINC001077430252 679603179 /nfs/dbraw/zinc/60/31/79/679603179.db2.gz DYRPNETYOLGVHD-JHJVBQTASA-N 1 2 350.423 -1.602 20 0 FAADLO Cc1nc2n(n1)C[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O)CC2 ZINC001077430253 679603151 /nfs/dbraw/zinc/60/31/51/679603151.db2.gz DYRPNETYOLGVHD-YNEHKIRRSA-N 1 2 350.423 -1.602 20 0 FAADLO 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CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(N3CCOCC3)CCC2)C1 ZINC001077917696 679912540 /nfs/dbraw/zinc/91/25/40/679912540.db2.gz GSAWCBSYHUEVHB-HZSPNIEDSA-N 1 2 354.451 -1.334 20 0 FAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(N3CCOCC3)CCC2)C1 ZINC001077917697 679912444 /nfs/dbraw/zinc/91/24/44/679912444.db2.gz GSAWCBSYHUEVHB-MGPQQGTHSA-N 1 2 354.451 -1.334 20 0 FAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(N3CCOCC3)CCC2)C1 ZINC001077917697 679912440 /nfs/dbraw/zinc/91/24/40/679912440.db2.gz GSAWCBSYHUEVHB-MGPQQGTHSA-N 1 2 354.451 -1.334 20 0 FAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(N3CCOCC3)CCC2)C1 ZINC001077917852 679912714 /nfs/dbraw/zinc/91/27/14/679912714.db2.gz PEAVAMDSGUPNKJ-BFHYXJOUSA-N 1 2 354.451 -1.463 20 0 FAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(N3CCOCC3)CCC2)C1 ZINC001077917852 679912711 /nfs/dbraw/zinc/91/27/11/679912711.db2.gz PEAVAMDSGUPNKJ-BFHYXJOUSA-N 1 2 354.451 -1.463 20 0 FAADLO 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O=C(C[C@@H]1CCCCC(=O)N1)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001078080788 679922275 /nfs/dbraw/zinc/92/22/75/679922275.db2.gz FIIOKODSFKJCCJ-BFHYXJOUSA-N 1 2 352.435 -1.125 20 0 FAADLO O=C(C[C@H]1CCCCC(=O)N1)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001078080789 679922206 /nfs/dbraw/zinc/92/22/06/679922206.db2.gz FIIOKODSFKJCCJ-MGPQQGTHSA-N 1 2 352.435 -1.125 20 0 FAADLO O=C(C[C@H]1CCCCC(=O)N1)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001078080789 679922204 /nfs/dbraw/zinc/92/22/04/679922204.db2.gz FIIOKODSFKJCCJ-MGPQQGTHSA-N 1 2 352.435 -1.125 20 0 FAADLO O=C(C[C@@H]1CCCCC(=O)N1)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001078081025 679922193 /nfs/dbraw/zinc/92/21/93/679922193.db2.gz OKFKGZHLJFJXTG-BFHYXJOUSA-N 1 2 352.435 -1.171 20 0 FAADLO O=C(C[C@@H]1CCCCC(=O)N1)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001078081025 679922192 /nfs/dbraw/zinc/92/21/92/679922192.db2.gz OKFKGZHLJFJXTG-BFHYXJOUSA-N 1 2 352.435 -1.171 20 0 FAADLO O=C(C[C@H]1CCCCC(=O)N1)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001078081026 679922239 /nfs/dbraw/zinc/92/22/39/679922239.db2.gz OKFKGZHLJFJXTG-MGPQQGTHSA-N 1 2 352.435 -1.171 20 0 FAADLO O=C(C[C@H]1CCCCC(=O)N1)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001078081026 679922238 /nfs/dbraw/zinc/92/22/38/679922238.db2.gz OKFKGZHLJFJXTG-MGPQQGTHSA-N 1 2 352.435 -1.171 20 0 FAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(CC(=O)Nc2nncs2)C[C@H]1O ZINC001078081442 679922307 /nfs/dbraw/zinc/92/23/07/679922307.db2.gz WQOHJTYKVVGTIV-GHMZBOCLSA-N 1 2 365.419 -1.088 20 0 FAADLO CC(=O)N1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]2O)C1 ZINC001078088031 679921517 /nfs/dbraw/zinc/92/15/17/679921517.db2.gz BKHNNZAWXAQMHW-RBSFLKMASA-N 1 2 352.435 -1.362 20 0 FAADLO CC(=O)N1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]2O)C1 ZINC001078088031 679921513 /nfs/dbraw/zinc/92/15/13/679921513.db2.gz BKHNNZAWXAQMHW-RBSFLKMASA-N 1 2 352.435 -1.362 20 0 FAADLO CC(=O)N1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]2O)C1 ZINC001078088032 679921575 /nfs/dbraw/zinc/92/15/75/679921575.db2.gz BKHNNZAWXAQMHW-RRFJBIMHSA-N 1 2 352.435 -1.362 20 0 FAADLO CC(=O)N1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]2O)C1 ZINC001078088032 679921574 /nfs/dbraw/zinc/92/15/74/679921574.db2.gz BKHNNZAWXAQMHW-RRFJBIMHSA-N 1 2 352.435 -1.362 20 0 FAADLO COc1c(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@H]2O)cnn1C ZINC001078088046 679922223 /nfs/dbraw/zinc/92/22/23/679922223.db2.gz BRUKXPJRNZGSAV-FRRDWIJNSA-N 1 2 351.407 -1.176 20 0 FAADLO COc1c(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@H]2O)cnn1C ZINC001078088046 679922221 /nfs/dbraw/zinc/92/22/21/679922221.db2.gz BRUKXPJRNZGSAV-FRRDWIJNSA-N 1 2 351.407 -1.176 20 0 FAADLO COc1c(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@H]2O)cnn1C ZINC001078088047 679922215 /nfs/dbraw/zinc/92/22/15/679922215.db2.gz BRUKXPJRNZGSAV-JHJVBQTASA-N 1 2 351.407 -1.176 20 0 FAADLO COc1c(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@H]2O)cnn1C ZINC001078088047 679922213 /nfs/dbraw/zinc/92/22/13/679922213.db2.gz BRUKXPJRNZGSAV-JHJVBQTASA-N 1 2 351.407 -1.176 20 0 FAADLO CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3cnn(C)c3OC)C2)C1=O ZINC001078088113 679923604 /nfs/dbraw/zinc/92/36/04/679923604.db2.gz FHSAFAXFXDMURZ-FRRDWIJNSA-N 1 2 351.407 -1.176 20 0 FAADLO CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cnn(C)c3OC)C2)C1=O ZINC001078088113 679923600 /nfs/dbraw/zinc/92/36/00/679923600.db2.gz FHSAFAXFXDMURZ-FRRDWIJNSA-N 1 2 351.407 -1.176 20 0 FAADLO CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3cnn(C)c3OC)C2)C1=O ZINC001078088114 679923565 /nfs/dbraw/zinc/92/35/65/679923565.db2.gz FHSAFAXFXDMURZ-JHJVBQTASA-N 1 2 351.407 -1.176 20 0 FAADLO CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cnn(C)c3OC)C2)C1=O ZINC001078088114 679923558 /nfs/dbraw/zinc/92/35/58/679923558.db2.gz FHSAFAXFXDMURZ-JHJVBQTASA-N 1 2 351.407 -1.176 20 0 FAADLO CC(=O)N1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@H]2O)C1 ZINC001078088117 679923762 /nfs/dbraw/zinc/92/37/62/679923762.db2.gz FJLLMXYHIZIAEL-BPLDGKMQSA-N 1 2 352.435 -1.363 20 0 FAADLO CC(=O)N1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@H]2O)C1 ZINC001078088117 679923760 /nfs/dbraw/zinc/92/37/60/679923760.db2.gz FJLLMXYHIZIAEL-BPLDGKMQSA-N 1 2 352.435 -1.363 20 0 FAADLO CC(=O)N1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@H]2O)C1 ZINC001078088118 679923618 /nfs/dbraw/zinc/92/36/18/679923618.db2.gz FJLLMXYHIZIAEL-NWANDNLSSA-N 1 2 352.435 -1.363 20 0 FAADLO CC(=O)N1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@H]2O)C1 ZINC001078088118 679923612 /nfs/dbraw/zinc/92/36/12/679923612.db2.gz FJLLMXYHIZIAEL-NWANDNLSSA-N 1 2 352.435 -1.363 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]2O)cn1 ZINC001078090122 679923424 /nfs/dbraw/zinc/92/34/24/679923424.db2.gz FVVCGMIZEZFIGR-IACUBPJLSA-N 1 2 353.423 -1.219 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]2O)cn1 ZINC001078090122 679923419 /nfs/dbraw/zinc/92/34/19/679923419.db2.gz FVVCGMIZEZFIGR-IACUBPJLSA-N 1 2 353.423 -1.219 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]2O)cn1 ZINC001078090123 679923716 /nfs/dbraw/zinc/92/37/16/679923716.db2.gz FVVCGMIZEZFIGR-MRVWCRGKSA-N 1 2 353.423 -1.219 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]2O)cn1 ZINC001078090123 679923711 /nfs/dbraw/zinc/92/37/11/679923711.db2.gz FVVCGMIZEZFIGR-MRVWCRGKSA-N 1 2 353.423 -1.219 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]2O)cn1 ZINC001078090130 679923395 /nfs/dbraw/zinc/92/33/95/679923395.db2.gz GAKNOOPZMIUTBY-HZSPNIEDSA-N 1 2 351.407 -1.465 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]2O)cn1 ZINC001078090130 679923390 /nfs/dbraw/zinc/92/33/90/679923390.db2.gz GAKNOOPZMIUTBY-HZSPNIEDSA-N 1 2 351.407 -1.465 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]2O)cn1 ZINC001078090131 679923741 /nfs/dbraw/zinc/92/37/41/679923741.db2.gz GAKNOOPZMIUTBY-MGPQQGTHSA-N 1 2 351.407 -1.465 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]2O)cn1 ZINC001078090131 679923737 /nfs/dbraw/zinc/92/37/37/679923737.db2.gz GAKNOOPZMIUTBY-MGPQQGTHSA-N 1 2 351.407 -1.465 20 0 FAADLO Cc1nn(C)c(F)c1C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001078092469 679923785 /nfs/dbraw/zinc/92/37/85/679923785.db2.gz LWBMLCJGSLOAEK-GHMZBOCLSA-N 1 2 354.386 -1.332 20 0 FAADLO Cc1nn(C)c(F)c1C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001078092469 679923781 /nfs/dbraw/zinc/92/37/81/679923781.db2.gz LWBMLCJGSLOAEK-GHMZBOCLSA-N 1 2 354.386 -1.332 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]2O)cn1 ZINC001078092947 679923681 /nfs/dbraw/zinc/92/36/81/679923681.db2.gz TXYWKZNWRYVUCQ-HZSPNIEDSA-N 1 2 351.407 -1.417 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]2O)cn1 ZINC001078092947 679923676 /nfs/dbraw/zinc/92/36/76/679923676.db2.gz TXYWKZNWRYVUCQ-HZSPNIEDSA-N 1 2 351.407 -1.417 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]2O)cn1 ZINC001078092950 679923817 /nfs/dbraw/zinc/92/38/17/679923817.db2.gz TXYWKZNWRYVUCQ-MGPQQGTHSA-N 1 2 351.407 -1.417 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]2O)cn1 ZINC001078092950 679923814 /nfs/dbraw/zinc/92/38/14/679923814.db2.gz TXYWKZNWRYVUCQ-MGPQQGTHSA-N 1 2 351.407 -1.417 20 0 FAADLO CCc1nc[nH]c1C(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001078097640 679924280 /nfs/dbraw/zinc/92/42/80/679924280.db2.gz BKKZRLVEGAFQFV-CHWSQXEVSA-N 1 2 371.463 -1.218 20 0 FAADLO CCc1nc[nH]c1C(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001078097640 679924276 /nfs/dbraw/zinc/92/42/76/679924276.db2.gz BKKZRLVEGAFQFV-CHWSQXEVSA-N 1 2 371.463 -1.218 20 0 FAADLO Cc1nn(CC(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2O)c(=O)n1C ZINC001078100240 679924325 /nfs/dbraw/zinc/92/43/25/679924325.db2.gz DMXZKYOPZBCNOU-VXGBXAGGSA-N 1 2 352.395 -2.716 20 0 FAADLO Cc1nn(CC(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2O)c(=O)n1C ZINC001078100240 679924324 /nfs/dbraw/zinc/92/43/24/679924324.db2.gz DMXZKYOPZBCNOU-VXGBXAGGSA-N 1 2 352.395 -2.716 20 0 FAADLO Cc1nn(CC(=O)N[C@@H]2C[N@@H+](Cc3cnoc3C)C[C@H]2O)c(=O)n1C ZINC001078100292 679924363 /nfs/dbraw/zinc/92/43/63/679924363.db2.gz FMDGRBJPLDNRNG-CHWSQXEVSA-N 1 2 350.379 -1.452 20 0 FAADLO Cc1nn(CC(=O)N[C@@H]2C[N@H+](Cc3cnoc3C)C[C@H]2O)c(=O)n1C ZINC001078100292 679924362 /nfs/dbraw/zinc/92/43/62/679924362.db2.gz FMDGRBJPLDNRNG-CHWSQXEVSA-N 1 2 350.379 -1.452 20 0 FAADLO Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3nc(C)n(C)c3=O)C2)on1 ZINC001078100302 679924224 /nfs/dbraw/zinc/92/42/24/679924224.db2.gz FVLQREQYOIPKHX-CHWSQXEVSA-N 1 2 350.379 -1.452 20 0 FAADLO Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3nc(C)n(C)c3=O)C2)on1 ZINC001078100302 679924219 /nfs/dbraw/zinc/92/42/19/679924219.db2.gz 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FAADLO Cc1nocc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001078100640 679924459 /nfs/dbraw/zinc/92/44/59/679924459.db2.gz IWKPCHORSVXGRQ-CHWSQXEVSA-N 1 2 350.379 -1.452 20 0 FAADLO CN(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC(=O)N2C)C1)C1CC1 ZINC001078100664 679924351 /nfs/dbraw/zinc/92/43/51/679924351.db2.gz JZIKZNFPFMSTGH-HZSPNIEDSA-N 1 2 352.435 -1.221 20 0 FAADLO CN(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC(=O)N2C)C1)C1CC1 ZINC001078100664 679924350 /nfs/dbraw/zinc/92/43/50/679924350.db2.gz JZIKZNFPFMSTGH-HZSPNIEDSA-N 1 2 352.435 -1.221 20 0 FAADLO CN(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC(=O)N2C)C1)C1CC1 ZINC001078100665 679924443 /nfs/dbraw/zinc/92/44/43/679924443.db2.gz JZIKZNFPFMSTGH-MGPQQGTHSA-N 1 2 352.435 -1.221 20 0 FAADLO CN(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC(=O)N2C)C1)C1CC1 ZINC001078100665 679924438 /nfs/dbraw/zinc/92/44/38/679924438.db2.gz JZIKZNFPFMSTGH-MGPQQGTHSA-N 1 2 352.435 -1.221 20 0 FAADLO 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/nfs/dbraw/zinc/93/43/57/679934357.db2.gz CIEPPCWVKQINFQ-QJPTWQEYSA-N 1 2 360.461 -1.195 20 0 FAADLO Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)C2)s1 ZINC001078193099 679934350 /nfs/dbraw/zinc/93/43/50/679934350.db2.gz CIEPPCWVKQINFQ-QJPTWQEYSA-N 1 2 360.461 -1.195 20 0 FAADLO Cc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001078193102 679934270 /nfs/dbraw/zinc/93/42/70/679934270.db2.gz CKNFEWIYJLISTB-JHJVBQTASA-N 1 2 358.420 -1.356 20 0 FAADLO Cc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001078193102 679934265 /nfs/dbraw/zinc/93/42/65/679934265.db2.gz CKNFEWIYJLISTB-JHJVBQTASA-N 1 2 358.420 -1.356 20 0 FAADLO Cc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001078193103 679934743 /nfs/dbraw/zinc/93/47/43/679934743.db2.gz CKNFEWIYJLISTB-YNEHKIRRSA-N 1 2 358.420 -1.356 20 0 FAADLO Cc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001078193103 679934741 /nfs/dbraw/zinc/93/47/41/679934741.db2.gz CKNFEWIYJLISTB-YNEHKIRRSA-N 1 2 358.420 -1.356 20 0 FAADLO Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCS(=O)(=O)N3)C2)sn1 ZINC001078193163 679934408 /nfs/dbraw/zinc/93/44/08/679934408.db2.gz FLKNFUUJLQJRAI-IJLUTSLNSA-N 1 2 360.461 -1.195 20 0 FAADLO Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCS(=O)(=O)N3)C2)sn1 ZINC001078193163 679934402 /nfs/dbraw/zinc/93/44/02/679934402.db2.gz FLKNFUUJLQJRAI-IJLUTSLNSA-N 1 2 360.461 -1.195 20 0 FAADLO Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)C2)sn1 ZINC001078193164 679934714 /nfs/dbraw/zinc/93/47/14/679934714.db2.gz FLKNFUUJLQJRAI-QJPTWQEYSA-N 1 2 360.461 -1.195 20 0 FAADLO Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)C2)sn1 ZINC001078193164 679934711 /nfs/dbraw/zinc/93/47/11/679934711.db2.gz FLKNFUUJLQJRAI-QJPTWQEYSA-N 1 2 360.461 -1.195 20 0 FAADLO Cc1nccnc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001078193194 679934617 /nfs/dbraw/zinc/93/46/17/679934617.db2.gz GZIWVCVGNZLRNC-CYZMBNFOSA-N 1 2 355.420 -1.862 20 0 FAADLO Cc1nccnc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001078193194 679934609 /nfs/dbraw/zinc/93/46/09/679934609.db2.gz GZIWVCVGNZLRNC-CYZMBNFOSA-N 1 2 355.420 -1.862 20 0 FAADLO Cc1nccnc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001078193195 679934508 /nfs/dbraw/zinc/93/45/08/679934508.db2.gz GZIWVCVGNZLRNC-RAIGVLPGSA-N 1 2 355.420 -1.862 20 0 FAADLO Cc1nccnc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001078193195 679934503 /nfs/dbraw/zinc/93/45/03/679934503.db2.gz GZIWVCVGNZLRNC-RAIGVLPGSA-N 1 2 355.420 -1.862 20 0 FAADLO CN(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1)C1CC1 ZINC001078193255 679934458 /nfs/dbraw/zinc/93/44/58/679934458.db2.gz JHQJAIPSMWPEJF-IJLUTSLNSA-N 1 2 360.436 -2.540 20 0 FAADLO CN(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1)C1CC1 ZINC001078193255 679934453 /nfs/dbraw/zinc/93/44/53/679934453.db2.gz JHQJAIPSMWPEJF-IJLUTSLNSA-N 1 2 360.436 -2.540 20 0 FAADLO CN(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1)C1CC1 ZINC001078193256 679934583 /nfs/dbraw/zinc/93/45/83/679934583.db2.gz JHQJAIPSMWPEJF-QJPTWQEYSA-N 1 2 360.436 -2.540 20 0 FAADLO CN(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1)C1CC1 ZINC001078193256 679934579 /nfs/dbraw/zinc/93/45/79/679934579.db2.gz JHQJAIPSMWPEJF-QJPTWQEYSA-N 1 2 360.436 -2.540 20 0 FAADLO O=C(C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1)N1CCCC1 ZINC001078193332 679935254 /nfs/dbraw/zinc/93/52/54/679935254.db2.gz MTQPIPOFSRSSNC-IJLUTSLNSA-N 1 2 360.436 -2.538 20 0 FAADLO O=C(C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1)N1CCCC1 ZINC001078193332 679935246 /nfs/dbraw/zinc/93/52/46/679935246.db2.gz MTQPIPOFSRSSNC-IJLUTSLNSA-N 1 2 360.436 -2.538 20 0 FAADLO O=C(C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1)N1CCCC1 ZINC001078193333 679935275 /nfs/dbraw/zinc/93/52/75/679935275.db2.gz MTQPIPOFSRSSNC-QJPTWQEYSA-N 1 2 360.436 -2.538 20 0 FAADLO O=C(C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1)N1CCCC1 ZINC001078193333 679935266 /nfs/dbraw/zinc/93/52/66/679935266.db2.gz MTQPIPOFSRSSNC-QJPTWQEYSA-N 1 2 360.436 -2.538 20 0 FAADLO Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCS(=O)(=O)N3)C2)ncn1 ZINC001078193597 679935298 /nfs/dbraw/zinc/93/52/98/679935298.db2.gz XPSLMSXQASZGMG-JHJVBQTASA-N 1 2 355.420 -1.862 20 0 FAADLO Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCS(=O)(=O)N3)C2)ncn1 ZINC001078193597 679935292 /nfs/dbraw/zinc/93/52/92/679935292.db2.gz XPSLMSXQASZGMG-JHJVBQTASA-N 1 2 355.420 -1.862 20 0 FAADLO Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)C2)ncn1 ZINC001078193598 679935019 /nfs/dbraw/zinc/93/50/19/679935019.db2.gz XPSLMSXQASZGMG-YNEHKIRRSA-N 1 2 355.420 -1.862 20 0 FAADLO Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)C2)ncn1 ZINC001078193598 679935013 /nfs/dbraw/zinc/93/50/13/679935013.db2.gz XPSLMSXQASZGMG-YNEHKIRRSA-N 1 2 355.420 -1.862 20 0 FAADLO COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCS(=O)(=O)N3)C2)cn1 ZINC001078194357 679935481 /nfs/dbraw/zinc/93/54/81/679935481.db2.gz GJBQMGCYQPMWQL-JHJVBQTASA-N 1 2 370.431 -1.557 20 0 FAADLO COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCS(=O)(=O)N3)C2)cn1 ZINC001078194357 679935476 /nfs/dbraw/zinc/93/54/76/679935476.db2.gz GJBQMGCYQPMWQL-JHJVBQTASA-N 1 2 370.431 -1.557 20 0 FAADLO COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)C2)cn1 ZINC001078194358 679935348 /nfs/dbraw/zinc/93/53/48/679935348.db2.gz GJBQMGCYQPMWQL-YNEHKIRRSA-N 1 2 370.431 -1.557 20 0 FAADLO COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)C2)cn1 ZINC001078194358 679935344 /nfs/dbraw/zinc/93/53/44/679935344.db2.gz GJBQMGCYQPMWQL-YNEHKIRRSA-N 1 2 370.431 -1.557 20 0 FAADLO COc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCS(=O)(=O)N3)C2)n1 ZINC001078194453 679935856 /nfs/dbraw/zinc/93/58/56/679935856.db2.gz LDRZHZAKSXPCHV-JHJVBQTASA-N 1 2 370.431 -1.557 20 0 FAADLO COc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCS(=O)(=O)N3)C2)n1 ZINC001078194453 679935848 /nfs/dbraw/zinc/93/58/48/679935848.db2.gz LDRZHZAKSXPCHV-JHJVBQTASA-N 1 2 370.431 -1.557 20 0 FAADLO COc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)C2)n1 ZINC001078194454 679935940 /nfs/dbraw/zinc/93/59/40/679935940.db2.gz LDRZHZAKSXPCHV-YNEHKIRRSA-N 1 2 370.431 -1.557 20 0 FAADLO COc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)C2)n1 ZINC001078194454 679935936 /nfs/dbraw/zinc/93/59/36/679935936.db2.gz LDRZHZAKSXPCHV-YNEHKIRRSA-N 1 2 370.431 -1.557 20 0 FAADLO Cc1nn(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001078194663 679936130 /nfs/dbraw/zinc/93/61/30/679936130.db2.gz UNEULIRRSXYPLP-JHJVBQTASA-N 1 2 357.436 -1.918 20 0 FAADLO Cc1nn(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001078194663 679936129 /nfs/dbraw/zinc/93/61/29/679936129.db2.gz UNEULIRRSXYPLP-JHJVBQTASA-N 1 2 357.436 -1.918 20 0 FAADLO Cc1nn(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001078194664 679935871 /nfs/dbraw/zinc/93/58/71/679935871.db2.gz UNEULIRRSXYPLP-YNEHKIRRSA-N 1 2 357.436 -1.918 20 0 FAADLO Cc1nn(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001078194664 679935868 /nfs/dbraw/zinc/93/58/68/679935868.db2.gz UNEULIRRSXYPLP-YNEHKIRRSA-N 1 2 357.436 -1.918 20 0 FAADLO CCc1nocc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001078194687 679935978 /nfs/dbraw/zinc/93/59/78/679935978.db2.gz VJCFCPWSPBVESO-JHJVBQTASA-N 1 2 358.420 -1.410 20 0 FAADLO CCc1nocc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001078194687 679935972 /nfs/dbraw/zinc/93/59/72/679935972.db2.gz VJCFCPWSPBVESO-JHJVBQTASA-N 1 2 358.420 -1.410 20 0 FAADLO CCc1nocc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001078194688 679936217 /nfs/dbraw/zinc/93/62/17/679936217.db2.gz VJCFCPWSPBVESO-YNEHKIRRSA-N 1 2 358.420 -1.410 20 0 FAADLO CCc1nocc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001078194688 679936212 /nfs/dbraw/zinc/93/62/12/679936212.db2.gz VJCFCPWSPBVESO-YNEHKIRRSA-N 1 2 358.420 -1.410 20 0 FAADLO COc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCS(=O)(=O)N3)C2)ccn1 ZINC001078194766 679935655 /nfs/dbraw/zinc/93/56/55/679935655.db2.gz YRNDFUDSDNXPTP-JHJVBQTASA-N 1 2 370.431 -1.557 20 0 FAADLO COc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCS(=O)(=O)N3)C2)ccn1 ZINC001078194766 679935651 /nfs/dbraw/zinc/93/56/51/679935651.db2.gz YRNDFUDSDNXPTP-JHJVBQTASA-N 1 2 370.431 -1.557 20 0 FAADLO COc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)C2)ccn1 ZINC001078194767 679936793 /nfs/dbraw/zinc/93/67/93/679936793.db2.gz YRNDFUDSDNXPTP-YNEHKIRRSA-N 1 2 370.431 -1.557 20 0 FAADLO COc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)C2)ccn1 ZINC001078194767 679936789 /nfs/dbraw/zinc/93/67/89/679936789.db2.gz YRNDFUDSDNXPTP-YNEHKIRRSA-N 1 2 370.431 -1.557 20 0 FAADLO Cc1nccc(C(=O)N[C@@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@H]2O)n1 ZINC001078195893 679936830 /nfs/dbraw/zinc/93/68/30/679936830.db2.gz FDLIDKBTRZHYNI-ZIAGYGMSSA-N 1 2 369.447 -1.405 20 0 FAADLO Cc1nccc(C(=O)N[C@@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@H]2O)n1 ZINC001078195893 679936828 /nfs/dbraw/zinc/93/68/28/679936828.db2.gz FDLIDKBTRZHYNI-ZIAGYGMSSA-N 1 2 369.447 -1.405 20 0 FAADLO CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001078198228 679936691 /nfs/dbraw/zinc/93/66/91/679936691.db2.gz DHZJHTOIKDLMIY-HZSPNIEDSA-N 1 2 354.451 -1.117 20 0 FAADLO CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001078198228 679936686 /nfs/dbraw/zinc/93/66/86/679936686.db2.gz DHZJHTOIKDLMIY-HZSPNIEDSA-N 1 2 354.451 -1.117 20 0 FAADLO CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001078198229 679936809 /nfs/dbraw/zinc/93/68/09/679936809.db2.gz DHZJHTOIKDLMIY-MGPQQGTHSA-N 1 2 354.451 -1.117 20 0 FAADLO CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001078198229 679936805 /nfs/dbraw/zinc/93/68/05/679936805.db2.gz DHZJHTOIKDLMIY-MGPQQGTHSA-N 1 2 354.451 -1.117 20 0 FAADLO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@H]1O ZINC001078199352 679936819 /nfs/dbraw/zinc/93/68/19/679936819.db2.gz DEDRUIXOQSEBPE-QLFBSQMISA-N 1 2 352.391 -1.108 20 0 FAADLO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cnoc2C)C[C@H]1O ZINC001078199352 679936818 /nfs/dbraw/zinc/93/68/18/679936818.db2.gz DEDRUIXOQSEBPE-QLFBSQMISA-N 1 2 352.391 -1.108 20 0 FAADLO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@H]1O ZINC001078199353 679936615 /nfs/dbraw/zinc/93/66/15/679936615.db2.gz DEDRUIXOQSEBPE-RBSFLKMASA-N 1 2 352.391 -1.108 20 0 FAADLO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cnoc2C)C[C@H]1O ZINC001078199353 679936612 /nfs/dbraw/zinc/93/66/12/679936612.db2.gz DEDRUIXOQSEBPE-RBSFLKMASA-N 1 2 352.391 -1.108 20 0 FAADLO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001078199368 679936474 /nfs/dbraw/zinc/93/64/74/679936474.db2.gz DWAPYTDPSPBVMI-HZSPNIEDSA-N 1 2 354.407 -2.373 20 0 FAADLO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001078199368 679936468 /nfs/dbraw/zinc/93/64/68/679936468.db2.gz DWAPYTDPSPBVMI-HZSPNIEDSA-N 1 2 354.407 -2.373 20 0 FAADLO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001078199369 679936507 /nfs/dbraw/zinc/93/65/07/679936507.db2.gz DWAPYTDPSPBVMI-MGPQQGTHSA-N 1 2 354.407 -2.373 20 0 FAADLO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001078199369 679936500 /nfs/dbraw/zinc/93/65/00/679936500.db2.gz DWAPYTDPSPBVMI-MGPQQGTHSA-N 1 2 354.407 -2.373 20 0 FAADLO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2conc2C)C[C@H]1O ZINC001078199524 679936838 /nfs/dbraw/zinc/93/68/38/679936838.db2.gz LIGKBXNDUXXELX-QLFBSQMISA-N 1 2 352.391 -1.108 20 0 FAADLO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2conc2C)C[C@H]1O ZINC001078199524 679936837 /nfs/dbraw/zinc/93/68/37/679936837.db2.gz LIGKBXNDUXXELX-QLFBSQMISA-N 1 2 352.391 -1.108 20 0 FAADLO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2conc2C)C[C@H]1O ZINC001078199525 679936747 /nfs/dbraw/zinc/93/67/47/679936747.db2.gz LIGKBXNDUXXELX-RBSFLKMASA-N 1 2 352.391 -1.108 20 0 FAADLO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2conc2C)C[C@H]1O ZINC001078199525 679936745 /nfs/dbraw/zinc/93/67/45/679936745.db2.gz LIGKBXNDUXXELX-RBSFLKMASA-N 1 2 352.391 -1.108 20 0 FAADLO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1O ZINC001078199531 679936713 /nfs/dbraw/zinc/93/67/13/679936713.db2.gz LWCQCDRNCPIBBX-QLFBSQMISA-N 1 2 351.407 -1.671 20 0 FAADLO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1O ZINC001078199532 679936528 /nfs/dbraw/zinc/93/65/28/679936528.db2.gz LWCQCDRNCPIBBX-RBSFLKMASA-N 1 2 351.407 -1.671 20 0 FAADLO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)no2)C[C@H]1O ZINC001078199567 679936766 /nfs/dbraw/zinc/93/67/66/679936766.db2.gz NEKICFIXWLDXJV-QLFBSQMISA-N 1 2 352.391 -1.108 20 0 FAADLO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@H]1O ZINC001078199567 679936764 /nfs/dbraw/zinc/93/67/64/679936764.db2.gz NEKICFIXWLDXJV-QLFBSQMISA-N 1 2 352.391 -1.108 20 0 FAADLO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)no2)C[C@H]1O ZINC001078199568 679936731 /nfs/dbraw/zinc/93/67/31/679936731.db2.gz NEKICFIXWLDXJV-RBSFLKMASA-N 1 2 352.391 -1.108 20 0 FAADLO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@H]1O ZINC001078199568 679936728 /nfs/dbraw/zinc/93/67/28/679936728.db2.gz NEKICFIXWLDXJV-RBSFLKMASA-N 1 2 352.391 -1.108 20 0 FAADLO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001078199763 679937229 /nfs/dbraw/zinc/93/72/29/679937229.db2.gz VHUPJFKITNNYGE-QLFBSQMISA-N 1 2 351.407 -1.671 20 0 FAADLO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001078199763 679937224 /nfs/dbraw/zinc/93/72/24/679937224.db2.gz VHUPJFKITNNYGE-QLFBSQMISA-N 1 2 351.407 -1.671 20 0 FAADLO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001078199764 679937452 /nfs/dbraw/zinc/93/74/52/679937452.db2.gz VHUPJFKITNNYGE-RBSFLKMASA-N 1 2 351.407 -1.671 20 0 FAADLO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001078199764 679937448 /nfs/dbraw/zinc/93/74/48/679937448.db2.gz VHUPJFKITNNYGE-RBSFLKMASA-N 1 2 351.407 -1.671 20 0 FAADLO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)o2)C[C@H]1O ZINC001078199866 679937267 /nfs/dbraw/zinc/93/72/67/679937267.db2.gz ZCCHQIRUTPOIEL-QLFBSQMISA-N 1 2 352.391 -1.108 20 0 FAADLO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cnc(C)o2)C[C@H]1O ZINC001078199866 679937264 /nfs/dbraw/zinc/93/72/64/679937264.db2.gz ZCCHQIRUTPOIEL-QLFBSQMISA-N 1 2 352.391 -1.108 20 0 FAADLO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)o2)C[C@H]1O ZINC001078199867 679937334 /nfs/dbraw/zinc/93/73/34/679937334.db2.gz ZCCHQIRUTPOIEL-RBSFLKMASA-N 1 2 352.391 -1.108 20 0 FAADLO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cnc(C)o2)C[C@H]1O ZINC001078199867 679937330 /nfs/dbraw/zinc/93/73/30/679937330.db2.gz ZCCHQIRUTPOIEL-RBSFLKMASA-N 1 2 352.391 -1.108 20 0 FAADLO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@H]1O ZINC001078199876 679937288 /nfs/dbraw/zinc/93/72/88/679937288.db2.gz ZKLDRLZFJQQLLS-HZSPNIEDSA-N 1 2 352.391 -1.108 20 0 FAADLO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ocnc2C)C[C@H]1O ZINC001078199876 679937283 /nfs/dbraw/zinc/93/72/83/679937283.db2.gz ZKLDRLZFJQQLLS-HZSPNIEDSA-N 1 2 352.391 -1.108 20 0 FAADLO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@H]1O ZINC001078199877 679937347 /nfs/dbraw/zinc/93/73/47/679937347.db2.gz ZKLDRLZFJQQLLS-MGPQQGTHSA-N 1 2 352.391 -1.108 20 0 FAADLO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ocnc2C)C[C@H]1O ZINC001078199877 679937343 /nfs/dbraw/zinc/93/73/43/679937343.db2.gz ZKLDRLZFJQQLLS-MGPQQGTHSA-N 1 2 352.391 -1.108 20 0 FAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nc(C3CC3)nn2C)C1 ZINC001078202851 679938181 /nfs/dbraw/zinc/93/81/81/679938181.db2.gz MQKXJFHHWQILFK-GRYCIOLGSA-N 1 2 350.423 -1.340 20 0 FAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nc(C3CC3)nn2C)C1 ZINC001078202851 679938179 /nfs/dbraw/zinc/93/81/79/679938179.db2.gz MQKXJFHHWQILFK-GRYCIOLGSA-N 1 2 350.423 -1.340 20 0 FAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nc(C3CC3)nn2C)C1 ZINC001078202852 679938299 /nfs/dbraw/zinc/93/82/99/679938299.db2.gz MQKXJFHHWQILFK-IJLUTSLNSA-N 1 2 350.423 -1.340 20 0 FAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nc(C3CC3)nn2C)C1 ZINC001078202852 679938297 /nfs/dbraw/zinc/93/82/97/679938297.db2.gz MQKXJFHHWQILFK-IJLUTSLNSA-N 1 2 350.423 -1.340 20 0 FAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nc(C3CC3)nn2C)C1 ZINC001078205941 679939633 /nfs/dbraw/zinc/93/96/33/679939633.db2.gz JZOWDORFQYMRDU-MVWJERBFSA-N 1 2 350.423 -1.469 20 0 FAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nc(C3CC3)nn2C)C1 ZINC001078205941 679939630 /nfs/dbraw/zinc/93/96/30/679939630.db2.gz JZOWDORFQYMRDU-MVWJERBFSA-N 1 2 350.423 -1.469 20 0 FAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nc(C3CC3)nn2C)C1 ZINC001078205942 679939528 /nfs/dbraw/zinc/93/95/28/679939528.db2.gz JZOWDORFQYMRDU-YUSALJHKSA-N 1 2 350.423 -1.469 20 0 FAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nc(C3CC3)nn2C)C1 ZINC001078205942 679939524 /nfs/dbraw/zinc/93/95/24/679939524.db2.gz JZOWDORFQYMRDU-YUSALJHKSA-N 1 2 350.423 -1.469 20 0 FAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nc(C3CC3)nn2C)C1 ZINC001078206076 679939799 /nfs/dbraw/zinc/93/97/99/679939799.db2.gz ONWUDEPWAHGMLL-VXGBXAGGSA-N 1 2 350.423 -1.516 20 0 FAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nc(C3CC3)nn2C)C1 ZINC001078206076 679939797 /nfs/dbraw/zinc/93/97/97/679939797.db2.gz ONWUDEPWAHGMLL-VXGBXAGGSA-N 1 2 350.423 -1.516 20 0 FAADLO O=C(Cc1ccc[nH]1)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001078208587 679938131 /nfs/dbraw/zinc/93/81/31/679938131.db2.gz QIFYWPKNQBRIHO-ZIAGYGMSSA-N 1 2 356.448 -1.246 20 0 FAADLO O=C(Cc1ccc[nH]1)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001078208587 679938127 /nfs/dbraw/zinc/93/81/27/679938127.db2.gz QIFYWPKNQBRIHO-ZIAGYGMSSA-N 1 2 356.448 -1.246 20 0 FAADLO C[C@@H]1CN(C(=O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ccc[nH]3)C2)CCO1 ZINC001078210860 679938063 /nfs/dbraw/zinc/93/80/63/679938063.db2.gz HHZZPDVMRKKQCN-BPLDGKMQSA-N 1 2 350.419 -1.034 20 0 FAADLO C[C@@H]1CN(C(=O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ccc[nH]3)C2)CCO1 ZINC001078210860 679938059 /nfs/dbraw/zinc/93/80/59/679938059.db2.gz HHZZPDVMRKKQCN-BPLDGKMQSA-N 1 2 350.419 -1.034 20 0 FAADLO C[C@H]1CN(C(=O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ccc[nH]3)C2)CCO1 ZINC001078210861 679937934 /nfs/dbraw/zinc/93/79/34/679937934.db2.gz HHZZPDVMRKKQCN-NWANDNLSSA-N 1 2 350.419 -1.034 20 0 FAADLO C[C@H]1CN(C(=O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ccc[nH]3)C2)CCO1 ZINC001078210861 679937928 /nfs/dbraw/zinc/93/79/28/679937928.db2.gz HHZZPDVMRKKQCN-NWANDNLSSA-N 1 2 350.419 -1.034 20 0 FAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)N2CCOCC2)C1 ZINC001078214185 679938187 /nfs/dbraw/zinc/93/81/87/679938187.db2.gz VRIVKOSDFKZZRE-FMKPAKJESA-N 1 2 354.451 -1.653 20 0 FAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)N2CCOCC2)C1 ZINC001078214185 679938185 /nfs/dbraw/zinc/93/81/85/679938185.db2.gz VRIVKOSDFKZZRE-FMKPAKJESA-N 1 2 354.451 -1.653 20 0 FAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)N2CCOCC2)C1 ZINC001078214186 679938141 /nfs/dbraw/zinc/93/81/41/679938141.db2.gz VRIVKOSDFKZZRE-IIAWOOMASA-N 1 2 354.451 -1.653 20 0 FAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)N2CCOCC2)C1 ZINC001078214186 679938138 /nfs/dbraw/zinc/93/81/38/679938138.db2.gz VRIVKOSDFKZZRE-IIAWOOMASA-N 1 2 354.451 -1.653 20 0 FAADLO 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CO[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)[C@H]1CCN(C)C1=O ZINC001082034865 680022075 /nfs/dbraw/zinc/02/20/75/680022075.db2.gz JBPXJVLYRRSWEK-MGPQQGTHSA-N 1 2 352.435 -1.099 20 0 FAADLO CO[C@@H]1C[N@@H+](CCn2c(C)csc2=O)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001082036114 680021755 /nfs/dbraw/zinc/02/17/55/680021755.db2.gz BBQXRNHAVHVGGT-GHMZBOCLSA-N 1 2 367.435 -1.129 20 0 FAADLO CO[C@@H]1C[N@H+](CCn2c(C)csc2=O)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001082036114 680021751 /nfs/dbraw/zinc/02/17/51/680021751.db2.gz BBQXRNHAVHVGGT-GHMZBOCLSA-N 1 2 367.435 -1.129 20 0 FAADLO CO[C@@H]1C[N@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001082036278 680022834 /nfs/dbraw/zinc/02/28/34/680022834.db2.gz HDCJDNPRDBNCCU-GRYCIOLGSA-N 1 2 351.411 -1.352 20 0 FAADLO CO[C@@H]1C[N@@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001082036278 680022830 /nfs/dbraw/zinc/02/28/30/680022830.db2.gz HDCJDNPRDBNCCU-GRYCIOLGSA-N 1 2 351.411 -1.352 20 0 FAADLO CO[C@@H]1C[N@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001082036279 680022977 /nfs/dbraw/zinc/02/29/77/680022977.db2.gz HDCJDNPRDBNCCU-IJLUTSLNSA-N 1 2 351.411 -1.352 20 0 FAADLO CO[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001082036279 680022973 /nfs/dbraw/zinc/02/29/73/680022973.db2.gz HDCJDNPRDBNCCU-IJLUTSLNSA-N 1 2 351.411 -1.352 20 0 FAADLO CO[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001082036660 680021285 /nfs/dbraw/zinc/02/12/85/680021285.db2.gz UWMQLBDVIKFBKO-NXEZZACHSA-N 1 2 351.367 -2.212 20 0 FAADLO CO[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001082036660 680021284 /nfs/dbraw/zinc/02/12/84/680021284.db2.gz UWMQLBDVIKFBKO-NXEZZACHSA-N 1 2 351.367 -2.212 20 0 FAADLO CO[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001082036941 680021550 /nfs/dbraw/zinc/02/15/50/680021550.db2.gz YBQINFHSDYPAFO-RKDXNWHRSA-N 1 2 352.355 -2.809 20 0 FAADLO CO[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001082036941 680021548 /nfs/dbraw/zinc/02/15/48/680021548.db2.gz YBQINFHSDYPAFO-RKDXNWHRSA-N 1 2 352.355 -2.809 20 0 FAADLO CO[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001082039578 680021986 /nfs/dbraw/zinc/02/19/86/680021986.db2.gz AEKGNJYFEFKZMV-SGPHBRAGSA-N 1 2 353.419 -1.447 20 0 FAADLO CO[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001082039578 680021983 /nfs/dbraw/zinc/02/19/83/680021983.db2.gz AEKGNJYFEFKZMV-SGPHBRAGSA-N 1 2 353.419 -1.447 20 0 FAADLO CO[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@]1(C)CCC(=O)NC1 ZINC001082051781 680021841 /nfs/dbraw/zinc/02/18/41/680021841.db2.gz TVKJEOZWUAXMOO-PBFPGSCMSA-N 1 2 352.435 -1.050 20 0 FAADLO CO[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@]1(C)CCC(=O)NC1 ZINC001082051781 680021835 /nfs/dbraw/zinc/02/18/35/680021835.db2.gz TVKJEOZWUAXMOO-PBFPGSCMSA-N 1 2 352.435 -1.050 20 0 FAADLO CO[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001082051782 680022239 /nfs/dbraw/zinc/02/22/39/680022239.db2.gz TVKJEOZWUAXMOO-XNJGSVPQSA-N 1 2 352.435 -1.050 20 0 FAADLO CO[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001082051782 680022233 /nfs/dbraw/zinc/02/22/33/680022233.db2.gz TVKJEOZWUAXMOO-XNJGSVPQSA-N 1 2 352.435 -1.050 20 0 FAADLO CO[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@]1(C)CCC(=O)NC1 ZINC001082051986 680022126 /nfs/dbraw/zinc/02/21/26/680022126.db2.gz XKXSIFNCWCJPQC-PBFPGSCMSA-N 1 2 352.435 -1.003 20 0 FAADLO CO[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@]1(C)CCC(=O)NC1 ZINC001082051986 680022119 /nfs/dbraw/zinc/02/21/19/680022119.db2.gz XKXSIFNCWCJPQC-PBFPGSCMSA-N 1 2 352.435 -1.003 20 0 FAADLO CO[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001082051987 680022004 /nfs/dbraw/zinc/02/20/04/680022004.db2.gz XKXSIFNCWCJPQC-XNJGSVPQSA-N 1 2 352.435 -1.003 20 0 FAADLO CO[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001082051987 680021999 /nfs/dbraw/zinc/02/19/99/680021999.db2.gz XKXSIFNCWCJPQC-XNJGSVPQSA-N 1 2 352.435 -1.003 20 0 FAADLO CO[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)Cc1cnoc1 ZINC001082054254 680022859 /nfs/dbraw/zinc/02/28/59/680022859.db2.gz YNKFXVYOPVFLAQ-ZIAGYGMSSA-N 1 2 352.391 -1.109 20 0 FAADLO CO[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)Cc1cnoc1 ZINC001082054254 680022857 /nfs/dbraw/zinc/02/28/57/680022857.db2.gz YNKFXVYOPVFLAQ-ZIAGYGMSSA-N 1 2 352.391 -1.109 20 0 FAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3nnn(C)c3C2)[C@H](OC)C1 ZINC001082069319 680022535 /nfs/dbraw/zinc/02/25/35/680022535.db2.gz DHSCPDJXFNWEPD-MPKXVKKWSA-N 1 2 350.423 -1.519 20 0 FAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3nnn(C)c3C2)[C@H](OC)C1 ZINC001082069319 680022529 /nfs/dbraw/zinc/02/25/29/680022529.db2.gz DHSCPDJXFNWEPD-MPKXVKKWSA-N 1 2 350.423 -1.519 20 0 FAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3nnn(C)c3C2)[C@H](OC)C1 ZINC001082069320 680022632 /nfs/dbraw/zinc/02/26/32/680022632.db2.gz DHSCPDJXFNWEPD-ZKYQVNSYSA-N 1 2 350.423 -1.519 20 0 FAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3nnn(C)c3C2)[C@H](OC)C1 ZINC001082069320 680022625 /nfs/dbraw/zinc/02/26/25/680022625.db2.gz DHSCPDJXFNWEPD-ZKYQVNSYSA-N 1 2 350.423 -1.519 20 0 FAADLO CO[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC001082075401 680022510 /nfs/dbraw/zinc/02/25/10/680022510.db2.gz RGLNVJCWMDZTIR-CYZMBNFOSA-N 1 2 370.431 -1.366 20 0 FAADLO CO[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC001082075401 680022507 /nfs/dbraw/zinc/02/25/07/680022507.db2.gz RGLNVJCWMDZTIR-CYZMBNFOSA-N 1 2 370.431 -1.366 20 0 FAADLO CO[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC001082075402 680022874 /nfs/dbraw/zinc/02/28/74/680022874.db2.gz RGLNVJCWMDZTIR-RAIGVLPGSA-N 1 2 370.431 -1.366 20 0 FAADLO CO[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC001082075402 680022871 /nfs/dbraw/zinc/02/28/71/680022871.db2.gz RGLNVJCWMDZTIR-RAIGVLPGSA-N 1 2 370.431 -1.366 20 0 FAADLO CO[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001082081675 680023012 /nfs/dbraw/zinc/02/30/12/680023012.db2.gz QWSXJYIWBFWVMU-JHJVBQTASA-N 1 2 353.423 -1.504 20 0 FAADLO CO[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001082081675 680023005 /nfs/dbraw/zinc/02/30/05/680023005.db2.gz QWSXJYIWBFWVMU-JHJVBQTASA-N 1 2 353.423 -1.504 20 0 FAADLO CO[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001082081676 680022928 /nfs/dbraw/zinc/02/29/28/680022928.db2.gz QWSXJYIWBFWVMU-YNEHKIRRSA-N 1 2 353.423 -1.504 20 0 FAADLO CO[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001082081676 680022924 /nfs/dbraw/zinc/02/29/24/680022924.db2.gz QWSXJYIWBFWVMU-YNEHKIRRSA-N 1 2 353.423 -1.504 20 0 FAADLO CO[C@@H]1C[N@@H+](CCn2c(C)csc2=O)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001082083660 680023610 /nfs/dbraw/zinc/02/36/10/680023610.db2.gz SLFFXAJHXNYJOG-IJLUTSLNSA-N 1 2 369.447 -1.285 20 0 FAADLO CO[C@@H]1C[N@H+](CCn2c(C)csc2=O)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001082083660 680023606 /nfs/dbraw/zinc/02/36/06/680023606.db2.gz SLFFXAJHXNYJOG-IJLUTSLNSA-N 1 2 369.447 -1.285 20 0 FAADLO CO[C@@H]1C[N@@H+](CCn2c(C)csc2=O)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001082083661 680023425 /nfs/dbraw/zinc/02/34/25/680023425.db2.gz SLFFXAJHXNYJOG-QJPTWQEYSA-N 1 2 369.447 -1.285 20 0 FAADLO CO[C@@H]1C[N@H+](CCn2c(C)csc2=O)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001082083661 680023420 /nfs/dbraw/zinc/02/34/20/680023420.db2.gz SLFFXAJHXNYJOG-QJPTWQEYSA-N 1 2 369.447 -1.285 20 0 FAADLO CCn1nnc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@H](OC)C1 ZINC001082083777 680023325 /nfs/dbraw/zinc/02/33/25/680023325.db2.gz WRLSQRSFWIENRS-DMDPSCGWSA-N 1 2 351.411 -1.397 20 0 FAADLO CCn1nnc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@H](OC)C1 ZINC001082083777 680023320 /nfs/dbraw/zinc/02/33/20/680023320.db2.gz WRLSQRSFWIENRS-DMDPSCGWSA-N 1 2 351.411 -1.397 20 0 FAADLO CCn1nnc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@H](OC)C1 ZINC001082083778 680023685 /nfs/dbraw/zinc/02/36/85/680023685.db2.gz WRLSQRSFWIENRS-NQBHXWOUSA-N 1 2 351.411 -1.397 20 0 FAADLO CCn1nnc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@H](OC)C1 ZINC001082083778 680023680 /nfs/dbraw/zinc/02/36/80/680023680.db2.gz WRLSQRSFWIENRS-NQBHXWOUSA-N 1 2 351.411 -1.397 20 0 FAADLO CO[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001082083801 680023482 /nfs/dbraw/zinc/02/34/82/680023482.db2.gz XCILGKJJJXCBJM-IJLUTSLNSA-N 1 2 355.395 -2.658 20 0 FAADLO CO[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001082083801 680023476 /nfs/dbraw/zinc/02/34/76/680023476.db2.gz XCILGKJJJXCBJM-IJLUTSLNSA-N 1 2 355.395 -2.658 20 0 FAADLO CO[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001082083802 680023382 /nfs/dbraw/zinc/02/33/82/680023382.db2.gz XCILGKJJJXCBJM-QJPTWQEYSA-N 1 2 355.395 -2.658 20 0 FAADLO 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/nfs/dbraw/zinc/52/09/29/679520929.db2.gz INEAVPURERERFM-OLZOCXBDSA-N 1 2 351.411 -1.907 20 0 FAADLO CC1CCN(C(=O)C[N@H+]2C[C@@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)CC1 ZINC001083330123 679520927 /nfs/dbraw/zinc/52/09/27/679520927.db2.gz INEAVPURERERFM-OLZOCXBDSA-N 1 2 351.411 -1.907 20 0 FAADLO C[C@@H]1CCCN(C(=O)C[N@@H+]2C[C@@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)C1 ZINC001083330188 679520919 /nfs/dbraw/zinc/52/09/19/679520919.db2.gz KUIWETBHITWMLK-UPJWGTAASA-N 1 2 351.411 -1.907 20 0 FAADLO C[C@@H]1CCCN(C(=O)C[N@H+]2C[C@@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)C1 ZINC001083330188 679520916 /nfs/dbraw/zinc/52/09/16/679520916.db2.gz KUIWETBHITWMLK-UPJWGTAASA-N 1 2 351.411 -1.907 20 0 FAADLO C[C@H]1CCCN(C(=O)C[N@@H+]2C[C@@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)C1 ZINC001083330189 679521085 /nfs/dbraw/zinc/52/10/85/679521085.db2.gz KUIWETBHITWMLK-XQQFMLRXSA-N 1 2 351.411 -1.907 20 0 FAADLO C[C@H]1CCCN(C(=O)C[N@H+]2C[C@@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)C1 ZINC001083330189 679521083 /nfs/dbraw/zinc/52/10/83/679521083.db2.gz 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ZINC001083332594 679521453 /nfs/dbraw/zinc/52/14/53/679521453.db2.gz GKYHWSVNVRTPQW-MNOVXSKESA-N 1 2 351.363 -1.382 20 0 FAADLO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@@H]2O)cn1 ZINC001083333287 679521509 /nfs/dbraw/zinc/52/15/09/679521509.db2.gz MSWXZRFAMPCFGN-OLZOCXBDSA-N 1 2 357.436 -1.770 20 0 FAADLO Cn1cc(C(=O)N[C@@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@@H]2O)cn1 ZINC001083333287 679521508 /nfs/dbraw/zinc/52/15/08/679521508.db2.gz MSWXZRFAMPCFGN-OLZOCXBDSA-N 1 2 357.436 -1.770 20 0 FAADLO Cc1nnsc1C(=O)N[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O ZINC001083333773 679521515 /nfs/dbraw/zinc/52/15/15/679521515.db2.gz LJYPZYMRDGKWHC-TUAOUCFPSA-N 1 2 369.447 -1.395 20 0 FAADLO Cc1nnsc1C(=O)N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O ZINC001083333773 679521513 /nfs/dbraw/zinc/52/15/13/679521513.db2.gz LJYPZYMRDGKWHC-TUAOUCFPSA-N 1 2 369.447 -1.395 20 0 FAADLO Cc1nnsc1C(=O)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083334283 679521487 /nfs/dbraw/zinc/52/14/87/679521487.db2.gz 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ZINC001083340808 679521842 /nfs/dbraw/zinc/52/18/42/679521842.db2.gz WLMBNJOICWAIFY-MCIONIFRSA-N 1 2 356.448 -1.131 20 0 FAADLO O=C(Cn1cccn1)N[C@@H]1C[N@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001083340809 679521887 /nfs/dbraw/zinc/52/18/87/679521887.db2.gz WLMBNJOICWAIFY-MJBXVCDLSA-N 1 2 356.448 -1.131 20 0 FAADLO O=C(Cn1cccn1)N[C@@H]1C[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001083340809 679521883 /nfs/dbraw/zinc/52/18/83/679521883.db2.gz WLMBNJOICWAIFY-MJBXVCDLSA-N 1 2 356.448 -1.131 20 0 FAADLO Cc1c(C(=O)N[C@@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@@H]2O)cnn1C ZINC001083342859 679522072 /nfs/dbraw/zinc/52/20/72/679522072.db2.gz UOASQSFJWAKVBU-KGLIPLIRSA-N 1 2 371.463 -1.461 20 0 FAADLO Cc1c(C(=O)N[C@@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@@H]2O)cnn1C ZINC001083342859 679522071 /nfs/dbraw/zinc/52/20/71/679522071.db2.gz UOASQSFJWAKVBU-KGLIPLIRSA-N 1 2 371.463 -1.461 20 0 FAADLO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H](NC(=O)C(C)C)[C@@H](O)C2)CC1 ZINC001083343251 679522041 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/nfs/dbraw/zinc/52/31/08/679523108.db2.gz WZMXQWDUAYNTCX-IEBDPFPHSA-N 1 2 369.403 -2.177 20 0 FAADLO O=C(N[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O)c1cnns1 ZINC001083355569 679523094 /nfs/dbraw/zinc/52/30/94/679523094.db2.gz CKHGDNXWIZCUAK-AXFHLTTASA-N 1 2 355.420 -1.704 20 0 FAADLO O=C(N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O)c1cnns1 ZINC001083355569 679523092 /nfs/dbraw/zinc/52/30/92/679523092.db2.gz CKHGDNXWIZCUAK-AXFHLTTASA-N 1 2 355.420 -1.704 20 0 FAADLO O=C(N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O)c1cnns1 ZINC001083355929 679523233 /nfs/dbraw/zinc/52/32/33/679523233.db2.gz UYRAWKZCIVJOSH-BDAKNGLRSA-N 1 2 354.392 -1.745 20 0 FAADLO O=C(N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O)c1cnns1 ZINC001083355929 679523230 /nfs/dbraw/zinc/52/32/30/679523230.db2.gz UYRAWKZCIVJOSH-BDAKNGLRSA-N 1 2 354.392 -1.745 20 0 FAADLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@@H]2O)[nH]n1 ZINC001083356616 679523143 /nfs/dbraw/zinc/52/31/43/679523143.db2.gz CJSVZPRZLOPCNJ-OLZOCXBDSA-N 1 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Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@@H]2O)n(C)n1 ZINC001083358444 679523683 /nfs/dbraw/zinc/52/36/83/679523683.db2.gz KTJIUBGCOZIGOD-OCCSQVGLSA-N 1 2 371.463 -1.461 20 0 FAADLO Cc1cc(C(=O)N[C@@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@@H]2O)n(C)n1 ZINC001083358444 679523679 /nfs/dbraw/zinc/52/36/79/679523679.db2.gz KTJIUBGCOZIGOD-OCCSQVGLSA-N 1 2 371.463 -1.461 20 0 FAADLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@@H]2O)nn1C ZINC001083358699 679523789 /nfs/dbraw/zinc/52/37/89/679523789.db2.gz VVJMPRXZFQEGID-NEPJUHHUSA-N 1 2 350.379 -1.945 20 0 FAADLO Cc1cc(C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@@H]2O)nn1C ZINC001083358699 679523786 /nfs/dbraw/zinc/52/37/86/679523786.db2.gz VVJMPRXZFQEGID-NEPJUHHUSA-N 1 2 350.379 -1.945 20 0 FAADLO Cc1cnn(CC(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@@H]2O)c1 ZINC001083358823 679523778 /nfs/dbraw/zinc/52/37/78/679523778.db2.gz AWXSMVKESNRYFG-KGLIPLIRSA-N 1 2 351.407 -1.788 20 0 FAADLO Cc1cnn(CC(=O)N[C@@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@@H]2O)c1 ZINC001083358823 679523776 /nfs/dbraw/zinc/52/37/76/679523776.db2.gz AWXSMVKESNRYFG-KGLIPLIRSA-N 1 2 351.407 -1.788 20 0 FAADLO Cc1cnn(CC(=O)N[C@@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@@H]2O)c1 ZINC001083358963 679523818 /nfs/dbraw/zinc/52/38/18/679523818.db2.gz IZROJNDMCJKLIN-MCIONIFRSA-N 1 2 356.448 -1.212 20 0 FAADLO Cc1cnn(CC(=O)N[C@@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@@H]2O)c1 ZINC001083358963 679523815 /nfs/dbraw/zinc/52/38/15/679523815.db2.gz IZROJNDMCJKLIN-MCIONIFRSA-N 1 2 356.448 -1.212 20 0 FAADLO Cc1cnn(CC(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@@H]2O)c1 ZINC001083358964 679523762 /nfs/dbraw/zinc/52/37/62/679523762.db2.gz IZROJNDMCJKLIN-MJBXVCDLSA-N 1 2 356.448 -1.212 20 0 FAADLO Cc1cnn(CC(=O)N[C@@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@@H]2O)c1 ZINC001083358964 679523760 /nfs/dbraw/zinc/52/37/60/679523760.db2.gz IZROJNDMCJKLIN-MJBXVCDLSA-N 1 2 356.448 -1.212 20 0 FAADLO Cc1cnn(CC(=O)N[C@@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@@H]2O)c1 ZINC001083359097 679523592 /nfs/dbraw/zinc/52/35/92/679523592.db2.gz PFXBEZMHOGIFLU-KGLIPLIRSA-N 1 2 371.463 -1.612 20 0 FAADLO Cc1cnn(CC(=O)N[C@@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@@H]2O)c1 ZINC001083359097 679523587 /nfs/dbraw/zinc/52/35/87/679523587.db2.gz PFXBEZMHOGIFLU-KGLIPLIRSA-N 1 2 371.463 -1.612 20 0 FAADLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@@H]2O)nn1C ZINC001083359614 679523546 /nfs/dbraw/zinc/52/35/46/679523546.db2.gz PSTQTEDLQVJTIM-KGLIPLIRSA-N 1 2 371.463 -1.461 20 0 FAADLO Cc1cc(C(=O)N[C@@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@@H]2O)nn1C ZINC001083359614 679523542 /nfs/dbraw/zinc/52/35/42/679523542.db2.gz PSTQTEDLQVJTIM-KGLIPLIRSA-N 1 2 371.463 -1.461 20 0 FAADLO O=C(N[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O)c1cncs1 ZINC001083360078 679523493 /nfs/dbraw/zinc/52/34/93/679523493.db2.gz NRIBIBUUALMXRO-TUAOUCFPSA-N 1 2 354.432 -1.099 20 0 FAADLO O=C(N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O)c1cncs1 ZINC001083360078 679523490 /nfs/dbraw/zinc/52/34/90/679523490.db2.gz NRIBIBUUALMXRO-TUAOUCFPSA-N 1 2 354.432 -1.099 20 0 FAADLO Cn1c(=O)cc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CCOC3)[C@@H](O)C2)n(C)c1=O ZINC001083363250 679523725 /nfs/dbraw/zinc/52/37/25/679523725.db2.gz MFYBGVKFMKXUJB-RTXFEEFZSA-N 1 2 352.391 -2.218 20 0 FAADLO Cn1c(=O)cc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CCOC3)[C@@H](O)C2)n(C)c1=O ZINC001083363250 679523722 /nfs/dbraw/zinc/52/37/22/679523722.db2.gz MFYBGVKFMKXUJB-RTXFEEFZSA-N 1 2 352.391 -2.218 20 0 FAADLO Cn1c(=O)cc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CCOC3)[C@@H](O)C2)n(C)c1=O ZINC001083363251 679523713 /nfs/dbraw/zinc/52/37/13/679523713.db2.gz MFYBGVKFMKXUJB-UHTWSYAYSA-N 1 2 352.391 -2.218 20 0 FAADLO Cn1c(=O)cc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CCOC3)[C@@H](O)C2)n(C)c1=O ZINC001083363251 679523711 /nfs/dbraw/zinc/52/37/11/679523711.db2.gz MFYBGVKFMKXUJB-UHTWSYAYSA-N 1 2 352.391 -2.218 20 0 FAADLO Cn1cc(CC(=O)N[C@@H]2C[N@@H+](CC3CCS(=O)(=O)CC3)C[C@@H]2O)cn1 ZINC001083364349 679523558 /nfs/dbraw/zinc/52/35/58/679523558.db2.gz IYBCFEDIGQSSCY-CABCVRRESA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1cc(CC(=O)N[C@@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@@H]2O)cn1 ZINC001083364349 679523553 /nfs/dbraw/zinc/52/35/53/679523553.db2.gz IYBCFEDIGQSSCY-CABCVRRESA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1cc(CC(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@@H]2O)cn1 ZINC001083364453 679523804 /nfs/dbraw/zinc/52/38/04/679523804.db2.gz NPGCCVHXDYQUOI-CFVMTHIKSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1cc(CC(=O)N[C@@H]2C[N@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@@H]2O)cn1 ZINC001083364453 679523802 /nfs/dbraw/zinc/52/38/02/679523802.db2.gz NPGCCVHXDYQUOI-CFVMTHIKSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1cc(CC(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCS(=O)(=O)C3)C[C@@H]2O)cn1 ZINC001083364454 679523695 /nfs/dbraw/zinc/52/36/95/679523695.db2.gz NPGCCVHXDYQUOI-YUELXQCFSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1cc(CC(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCS(=O)(=O)C3)C[C@@H]2O)cn1 ZINC001083364454 679523692 /nfs/dbraw/zinc/52/36/92/679523692.db2.gz NPGCCVHXDYQUOI-YUELXQCFSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1cc(CC(=O)N[C@@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@@H]2O)cn1 ZINC001083364555 679523769 /nfs/dbraw/zinc/52/37/69/679523769.db2.gz SQRGJHSLIRNWNT-KGLIPLIRSA-N 1 2 371.463 -1.841 20 0 FAADLO Cn1cc(CC(=O)N[C@@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@@H]2O)cn1 ZINC001083364555 679523767 /nfs/dbraw/zinc/52/37/67/679523767.db2.gz SQRGJHSLIRNWNT-KGLIPLIRSA-N 1 2 371.463 -1.841 20 0 FAADLO O=C(N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)c1ccnc(F)c1 ZINC001083364586 679523671 /nfs/dbraw/zinc/52/36/71/679523671.db2.gz VOZFHURYRMEFAH-MNOVXSKESA-N 1 2 351.338 -1.453 20 0 FAADLO O=C(N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)c1ccnc(F)c1 ZINC001083364586 679523666 /nfs/dbraw/zinc/52/36/66/679523666.db2.gz VOZFHURYRMEFAH-MNOVXSKESA-N 1 2 351.338 -1.453 20 0 FAADLO Cn1cc(CC(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@@H]2O)cn1 ZINC001083364606 679523638 /nfs/dbraw/zinc/52/36/38/679523638.db2.gz WVLSMNUXDOMWJD-KGLIPLIRSA-N 1 2 351.407 -2.017 20 0 FAADLO Cn1cc(CC(=O)N[C@@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@@H]2O)cn1 ZINC001083364606 679523634 /nfs/dbraw/zinc/52/36/34/679523634.db2.gz WVLSMNUXDOMWJD-KGLIPLIRSA-N 1 2 351.407 -2.017 20 0 FAADLO Cn1cc(CC(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@@H]2O)cn1 ZINC001083364692 679524236 /nfs/dbraw/zinc/52/42/36/679524236.db2.gz AXQUKVIXAMKHRD-CFVMTHIKSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1cc(CC(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@@H]2O)cn1 ZINC001083364692 679524234 /nfs/dbraw/zinc/52/42/34/679524234.db2.gz AXQUKVIXAMKHRD-CFVMTHIKSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1cc(CC(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@@H]2O)cn1 ZINC001083364693 679524312 /nfs/dbraw/zinc/52/43/12/679524312.db2.gz AXQUKVIXAMKHRD-YUELXQCFSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1cc(CC(=O)N[C@@H]2C[N@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@@H]2O)cn1 ZINC001083364693 679524310 /nfs/dbraw/zinc/52/43/10/679524310.db2.gz AXQUKVIXAMKHRD-YUELXQCFSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1cc(CC(=O)N[C@@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@@H]2O)cn1 ZINC001083364814 679524275 /nfs/dbraw/zinc/52/42/75/679524275.db2.gz IFLMWQGQAYXHIJ-BNOWGMLFSA-N 1 2 356.448 -1.441 20 0 FAADLO Cn1cc(CC(=O)N[C@@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@@H]2O)cn1 ZINC001083364814 679524273 /nfs/dbraw/zinc/52/42/73/679524273.db2.gz IFLMWQGQAYXHIJ-BNOWGMLFSA-N 1 2 356.448 -1.441 20 0 FAADLO Cn1cc(CC(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@@H]2O)cn1 ZINC001083364815 679524333 /nfs/dbraw/zinc/52/43/33/679524333.db2.gz IFLMWQGQAYXHIJ-YUTCNCBUSA-N 1 2 356.448 -1.441 20 0 FAADLO Cn1cc(CC(=O)N[C@@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@@H]2O)cn1 ZINC001083364815 679524331 /nfs/dbraw/zinc/52/43/31/679524331.db2.gz IFLMWQGQAYXHIJ-YUTCNCBUSA-N 1 2 356.448 -1.441 20 0 FAADLO Cn1nccc1C(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001083365275 679524255 /nfs/dbraw/zinc/52/42/55/679524255.db2.gz FPHCCDJTMXLXNY-YPMHNXCESA-N 1 2 357.436 -1.770 20 0 FAADLO Cn1nccc1C(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001083365275 679524252 /nfs/dbraw/zinc/52/42/52/679524252.db2.gz FPHCCDJTMXLXNY-YPMHNXCESA-N 1 2 357.436 -1.770 20 0 FAADLO Cc1ncc(C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@@H]2O)s1 ZINC001083365600 679524160 /nfs/dbraw/zinc/52/41/60/679524160.db2.gz UZDMFWPNDJZDKH-ZJUUUORDSA-N 1 2 353.404 -1.222 20 0 FAADLO Cc1ncc(C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@@H]2O)s1 ZINC001083365600 679524156 /nfs/dbraw/zinc/52/41/56/679524156.db2.gz UZDMFWPNDJZDKH-ZJUUUORDSA-N 1 2 353.404 -1.222 20 0 FAADLO O=C(N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@@H]1O)C1=COCCC1 ZINC001083367161 679524181 /nfs/dbraw/zinc/52/41/81/679524181.db2.gz SALQRUFLQIAWOD-KGLIPLIRSA-N 1 2 359.448 -1.123 20 0 FAADLO O=C(N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1O)C1=COCCC1 ZINC001083367161 679524178 /nfs/dbraw/zinc/52/41/78/679524178.db2.gz SALQRUFLQIAWOD-KGLIPLIRSA-N 1 2 359.448 -1.123 20 0 FAADLO O=C(N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@@H]1O)[C@@H]1CCCOC1 ZINC001083368225 679524217 /nfs/dbraw/zinc/52/42/17/679524217.db2.gz HBBAKGZGBXPEHQ-MCIONIFRSA-N 1 2 361.464 -1.390 20 0 FAADLO O=C(N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1O)[C@@H]1CCCOC1 ZINC001083368225 679524215 /nfs/dbraw/zinc/52/42/15/679524215.db2.gz HBBAKGZGBXPEHQ-MCIONIFRSA-N 1 2 361.464 -1.390 20 0 FAADLO O=C(N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@@H]1O)[C@H]1CCCOC1 ZINC001083368226 679524031 /nfs/dbraw/zinc/52/40/31/679524031.db2.gz HBBAKGZGBXPEHQ-MJBXVCDLSA-N 1 2 361.464 -1.390 20 0 FAADLO O=C(N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1O)[C@H]1CCCOC1 ZINC001083368226 679524027 /nfs/dbraw/zinc/52/40/27/679524027.db2.gz HBBAKGZGBXPEHQ-MJBXVCDLSA-N 1 2 361.464 -1.390 20 0 FAADLO O=C(N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@@H]1O)c1cscn1 ZINC001083369408 679524087 /nfs/dbraw/zinc/52/40/87/679524087.db2.gz VQPGZMPJMVHTJX-PWSUYJOCSA-N 1 2 360.461 -1.047 20 0 FAADLO O=C(N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1O)c1cscn1 ZINC001083369408 679524085 /nfs/dbraw/zinc/52/40/85/679524085.db2.gz VQPGZMPJMVHTJX-PWSUYJOCSA-N 1 2 360.461 -1.047 20 0 FAADLO CC1CCN(C(=O)C[N@@H+]2C[C@@H](NC(=O)[C@H]3CCC(=O)N3)[C@@H](O)C2)CC1 ZINC001083370042 679524573 /nfs/dbraw/zinc/52/45/73/679524573.db2.gz ANHSZICAEAASPU-MCIONIFRSA-N 1 2 352.435 -1.315 20 0 FAADLO CC1CCN(C(=O)C[N@H+]2C[C@@H](NC(=O)[C@H]3CCC(=O)N3)[C@@H](O)C2)CC1 ZINC001083370042 679524570 /nfs/dbraw/zinc/52/45/70/679524570.db2.gz ANHSZICAEAASPU-MCIONIFRSA-N 1 2 352.435 -1.315 20 0 FAADLO CC1(C)NC(=O)N(CC[N@@H+]2C[C@@H](NC(=O)c3cocn3)[C@@H](O)C2)C1=O ZINC001083370089 679524598 /nfs/dbraw/zinc/52/45/98/679524598.db2.gz CLNZRTAMBVKURB-KOLCDFICSA-N 1 2 351.363 -1.220 20 0 FAADLO CC1(C)NC(=O)N(CC[N@H+]2C[C@@H](NC(=O)c3cocn3)[C@@H](O)C2)C1=O ZINC001083370089 679524594 /nfs/dbraw/zinc/52/45/94/679524594.db2.gz CLNZRTAMBVKURB-KOLCDFICSA-N 1 2 351.363 -1.220 20 0 FAADLO O=C(N[C@@H]1C[N@@H+](C[C@@H](O)CN2C(=O)CCC2=O)C[C@@H]1O)c1cocn1 ZINC001083370265 679524752 /nfs/dbraw/zinc/52/47/52/679524752.db2.gz LCLKJXZJEFQVKR-FOGDFJRCSA-N 1 2 352.347 -2.041 20 0 FAADLO O=C(N[C@@H]1C[N@H+](C[C@@H](O)CN2C(=O)CCC2=O)C[C@@H]1O)c1cocn1 ZINC001083370265 679524751 /nfs/dbraw/zinc/52/47/51/679524751.db2.gz LCLKJXZJEFQVKR-FOGDFJRCSA-N 1 2 352.347 -2.041 20 0 FAADLO O=C(N[C@@H]1C[N@@H+](C[C@H](O)CN2C(=O)CCC2=O)C[C@@H]1O)c1cocn1 ZINC001083370266 679524708 /nfs/dbraw/zinc/52/47/08/679524708.db2.gz LCLKJXZJEFQVKR-UMNHJUIQSA-N 1 2 352.347 -2.041 20 0 FAADLO O=C(N[C@@H]1C[N@H+](C[C@H](O)CN2C(=O)CCC2=O)C[C@@H]1O)c1cocn1 ZINC001083370266 679524705 /nfs/dbraw/zinc/52/47/05/679524705.db2.gz LCLKJXZJEFQVKR-UMNHJUIQSA-N 1 2 352.347 -2.041 20 0 FAADLO O=C(C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)[C@@H](O)C1)N1CCCCCC1 ZINC001083371624 679524764 /nfs/dbraw/zinc/52/47/64/679524764.db2.gz AGSBNAOYIFAHPM-MCIONIFRSA-N 1 2 352.435 -1.171 20 0 FAADLO O=C(C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)[C@@H](O)C1)N1CCCCCC1 ZINC001083371624 679524761 /nfs/dbraw/zinc/52/47/61/679524761.db2.gz AGSBNAOYIFAHPM-MCIONIFRSA-N 1 2 352.435 -1.171 20 0 FAADLO O=C(N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@@H]1O)[C@H]1CCC(=O)N1 ZINC001083371645 679524730 /nfs/dbraw/zinc/52/47/30/679524730.db2.gz BGNDRZNYDUVTKA-UTUOFQBUSA-N 1 2 360.436 -2.538 20 0 FAADLO O=C(N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1O)[C@H]1CCC(=O)N1 ZINC001083371645 679524728 /nfs/dbraw/zinc/52/47/28/679524728.db2.gz BGNDRZNYDUVTKA-UTUOFQBUSA-N 1 2 360.436 -2.538 20 0 FAADLO O=C(N[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@@H]1O)[C@H]1CCC(=O)N1 ZINC001083371807 679524684 /nfs/dbraw/zinc/52/46/84/679524684.db2.gz LQELMAQESOOBKE-UPJWGTAASA-N 1 2 359.448 -1.749 20 0 FAADLO O=C(N[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@@H]1O)[C@H]1CCC(=O)N1 ZINC001083371807 679524681 /nfs/dbraw/zinc/52/46/81/679524681.db2.gz LQELMAQESOOBKE-UPJWGTAASA-N 1 2 359.448 -1.749 20 0 FAADLO Cc1csc(=O)n1CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)[C@@H](O)C1 ZINC001083372062 679524628 /nfs/dbraw/zinc/52/46/28/679524628.db2.gz ZESFPCJYRFUSMU-UTUOFQBUSA-N 1 2 354.432 -1.342 20 0 FAADLO Cc1csc(=O)n1CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)[C@@H](O)C1 ZINC001083372062 679524625 /nfs/dbraw/zinc/52/46/25/679524625.db2.gz ZESFPCJYRFUSMU-UTUOFQBUSA-N 1 2 354.432 -1.342 20 0 FAADLO Cc1ncc(C(=O)N[C@@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@@H]2O)[nH]1 ZINC001083372270 679525204 /nfs/dbraw/zinc/52/52/04/679525204.db2.gz IWUDBVQXBRABNX-OLZOCXBDSA-N 1 2 357.436 -1.471 20 0 FAADLO Cc1ncc(C(=O)N[C@@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@@H]2O)[nH]1 ZINC001083372270 679525201 /nfs/dbraw/zinc/52/52/01/679525201.db2.gz IWUDBVQXBRABNX-OLZOCXBDSA-N 1 2 357.436 -1.471 20 0 FAADLO Cc1nn(C)cc1C(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001083374113 679525103 /nfs/dbraw/zinc/52/51/03/679525103.db2.gz NMRPQWYTNCNMHB-KGLIPLIRSA-N 1 2 371.463 -1.461 20 0 FAADLO Cc1nn(C)cc1C(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001083374113 679525101 /nfs/dbraw/zinc/52/51/01/679525101.db2.gz NMRPQWYTNCNMHB-KGLIPLIRSA-N 1 2 371.463 -1.461 20 0 FAADLO O=C(N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)c1ccc(F)nc1 ZINC001083374258 679524982 /nfs/dbraw/zinc/52/49/82/679524982.db2.gz VAJXTUXVURFHHV-MNOVXSKESA-N 1 2 351.338 -1.453 20 0 FAADLO O=C(N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)c1ccc(F)nc1 ZINC001083374258 679524980 /nfs/dbraw/zinc/52/49/80/679524980.db2.gz VAJXTUXVURFHHV-MNOVXSKESA-N 1 2 351.338 -1.453 20 0 FAADLO Nc1nccnc1C(=O)N[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@@H]1O ZINC001083375667 679524952 /nfs/dbraw/zinc/52/49/52/679524952.db2.gz KKEBUNUMEJLZID-NEPJUHHUSA-N 1 2 369.447 -1.342 20 0 FAADLO Nc1nccnc1C(=O)N[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@@H]1O ZINC001083375667 679524949 /nfs/dbraw/zinc/52/49/49/679524949.db2.gz KKEBUNUMEJLZID-NEPJUHHUSA-N 1 2 369.447 -1.342 20 0 FAADLO Nc1nccnc1C(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001083375882 679525214 /nfs/dbraw/zinc/52/52/14/679525214.db2.gz UMYJIJFABQPHBI-MNOVXSKESA-N 1 2 370.435 -2.131 20 0 FAADLO Nc1nccnc1C(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001083375882 679525211 /nfs/dbraw/zinc/52/52/11/679525211.db2.gz UMYJIJFABQPHBI-MNOVXSKESA-N 1 2 370.435 -2.131 20 0 FAADLO CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@@H]2O)cn1 ZINC001083376140 679525036 /nfs/dbraw/zinc/52/50/36/679525036.db2.gz GHRJQJRQTUJNTM-KGLIPLIRSA-N 1 2 371.463 -1.287 20 0 FAADLO CCn1cc(C(=O)N[C@@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@@H]2O)cn1 ZINC001083376140 679525033 /nfs/dbraw/zinc/52/50/33/679525033.db2.gz GHRJQJRQTUJNTM-KGLIPLIRSA-N 1 2 371.463 -1.287 20 0 FAADLO Cc1[nH]nc(C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@@H]2O)c1C ZINC001083376887 679525153 /nfs/dbraw/zinc/52/51/53/679525153.db2.gz OHDYWPZOLXHFJF-MNOVXSKESA-N 1 2 350.379 -1.647 20 0 FAADLO Cc1[nH]nc(C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@@H]2O)c1C ZINC001083376887 679525150 /nfs/dbraw/zinc/52/51/50/679525150.db2.gz OHDYWPZOLXHFJF-MNOVXSKESA-N 1 2 350.379 -1.647 20 0 FAADLO Cc1[nH]nc(C(=O)N[C@@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@@H]2O)c1C ZINC001083377269 679524962 /nfs/dbraw/zinc/52/49/62/679524962.db2.gz JYRNYAAFHYMJMO-OLZOCXBDSA-N 1 2 371.463 -1.163 20 0 FAADLO Cc1[nH]nc(C(=O)N[C@@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@@H]2O)c1C ZINC001083377269 679524957 /nfs/dbraw/zinc/52/49/57/679524957.db2.gz JYRNYAAFHYMJMO-OLZOCXBDSA-N 1 2 371.463 -1.163 20 0 FAADLO O=C(CC1CCOCC1)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001083377425 679525272 /nfs/dbraw/zinc/52/52/72/679525272.db2.gz RRXISLOKHUZAJZ-CABCVRRESA-N 1 2 355.435 -1.177 20 0 FAADLO O=C(CC1CCOCC1)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001083377425 679525270 /nfs/dbraw/zinc/52/52/70/679525270.db2.gz RRXISLOKHUZAJZ-CABCVRRESA-N 1 2 355.435 -1.177 20 0 FAADLO O=C(Cc1ccon1)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001083378143 679525097 /nfs/dbraw/zinc/52/50/97/679525097.db2.gz CJIFQXDWQCJDRM-OLZOCXBDSA-N 1 2 358.420 -1.586 20 0 FAADLO O=C(Cc1ccon1)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001083378143 679525094 /nfs/dbraw/zinc/52/50/94/679525094.db2.gz CJIFQXDWQCJDRM-OLZOCXBDSA-N 1 2 358.420 -1.586 20 0 FAADLO CCc1ocnc1C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083378854 679525017 /nfs/dbraw/zinc/52/50/17/679525017.db2.gz KGVYTRJPOAHKQC-ZJUUUORDSA-N 1 2 351.363 -1.436 20 0 FAADLO CCc1ocnc1C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083378854 679525013 /nfs/dbraw/zinc/52/50/13/679525013.db2.gz KGVYTRJPOAHKQC-ZJUUUORDSA-N 1 2 351.363 -1.436 20 0 FAADLO O=C(C[C@H]1CCOC1)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001083380869 679525502 /nfs/dbraw/zinc/52/55/02/679525502.db2.gz LEIURWFVHRPZLH-MCIONIFRSA-N 1 2 361.464 -1.390 20 0 FAADLO O=C(C[C@H]1CCOC1)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001083380869 679525498 /nfs/dbraw/zinc/52/54/98/679525498.db2.gz LEIURWFVHRPZLH-MCIONIFRSA-N 1 2 361.464 -1.390 20 0 FAADLO O=C(C[C@@H]1CCOC1)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001083380870 679525485 /nfs/dbraw/zinc/52/54/85/679525485.db2.gz LEIURWFVHRPZLH-MJBXVCDLSA-N 1 2 361.464 -1.390 20 0 FAADLO O=C(C[C@@H]1CCOC1)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001083380870 679525481 /nfs/dbraw/zinc/52/54/81/679525481.db2.gz LEIURWFVHRPZLH-MJBXVCDLSA-N 1 2 361.464 -1.390 20 0 FAADLO O=C(Cc1cc[nH]n1)N[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@@H]1O ZINC001083381448 679525458 /nfs/dbraw/zinc/52/54/58/679525458.db2.gz KQAPUDGDTOYEJW-KGLIPLIRSA-N 1 2 356.448 -1.062 20 0 FAADLO O=C(Cc1cc[nH]n1)N[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@@H]1O ZINC001083381448 679525456 /nfs/dbraw/zinc/52/54/56/679525456.db2.gz KQAPUDGDTOYEJW-KGLIPLIRSA-N 1 2 356.448 -1.062 20 0 FAADLO O=C(Cc1cc[nH]n1)N[C@@H]1C[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001083381493 679525681 /nfs/dbraw/zinc/52/56/81/679525681.db2.gz MRLSWYSNEUPYAY-BNOWGMLFSA-N 1 2 356.448 -1.062 20 0 FAADLO O=C(Cc1cc[nH]n1)N[C@@H]1C[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001083381493 679525678 /nfs/dbraw/zinc/52/56/78/679525678.db2.gz MRLSWYSNEUPYAY-BNOWGMLFSA-N 1 2 356.448 -1.062 20 0 FAADLO O=C(Cc1cc[nH]n1)N[C@@H]1C[N@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001083381494 679525441 /nfs/dbraw/zinc/52/54/41/679525441.db2.gz MRLSWYSNEUPYAY-YUTCNCBUSA-N 1 2 356.448 -1.062 20 0 FAADLO O=C(Cc1cc[nH]n1)N[C@@H]1C[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001083381494 679525435 /nfs/dbraw/zinc/52/54/35/679525435.db2.gz MRLSWYSNEUPYAY-YUTCNCBUSA-N 1 2 356.448 -1.062 20 0 FAADLO O=C(Cc1cc[nH]n1)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001083381698 679525637 /nfs/dbraw/zinc/52/56/37/679525637.db2.gz XSNNNEGCJHSBNI-OLZOCXBDSA-N 1 2 357.436 -1.851 20 0 FAADLO O=C(Cc1cc[nH]n1)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001083381698 679525630 /nfs/dbraw/zinc/52/56/30/679525630.db2.gz XSNNNEGCJHSBNI-OLZOCXBDSA-N 1 2 357.436 -1.851 20 0 FAADLO Cc1c(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(C(C)C)C3=O)C[C@@H]2O)nnn1C ZINC001083381789 679525611 /nfs/dbraw/zinc/52/56/11/679525611.db2.gz CLHUSVSIHTXKST-AGIUHOORSA-N 1 2 350.423 -1.092 20 0 FAADLO Cc1c(C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(C(C)C)C3=O)C[C@@H]2O)nnn1C ZINC001083381789 679525609 /nfs/dbraw/zinc/52/56/09/679525609.db2.gz CLHUSVSIHTXKST-AGIUHOORSA-N 1 2 350.423 -1.092 20 0 FAADLO 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Cn1nccc1CC(=O)N[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@@H]1O ZINC001083431906 679533623 /nfs/dbraw/zinc/53/36/23/679533623.db2.gz SMVSUXUMKXNOBJ-CABCVRRESA-N 1 2 370.475 -1.051 20 0 FAADLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@@H]2O)ns1 ZINC001083432013 679533653 /nfs/dbraw/zinc/53/36/53/679533653.db2.gz XTTRZNJJTNMVJY-MNOVXSKESA-N 1 2 353.404 -1.222 20 0 FAADLO Cc1cc(C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@@H]2O)ns1 ZINC001083432013 679533651 /nfs/dbraw/zinc/53/36/51/679533651.db2.gz XTTRZNJJTNMVJY-MNOVXSKESA-N 1 2 353.404 -1.222 20 0 FAADLO Cn1nccc1CC(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001083432062 679533715 /nfs/dbraw/zinc/53/37/15/679533715.db2.gz ZJMROZGYBRDSAJ-KGLIPLIRSA-N 1 2 371.463 -1.841 20 0 FAADLO Cn1nccc1CC(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001083432062 679533712 /nfs/dbraw/zinc/53/37/12/679533712.db2.gz ZJMROZGYBRDSAJ-KGLIPLIRSA-N 1 2 371.463 -1.841 20 0 FAADLO Cn1nccc1CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001083432809 679533423 /nfs/dbraw/zinc/53/34/23/679533423.db2.gz FZUDKKSHLWQALP-KGLIPLIRSA-N 1 2 351.407 -2.017 20 0 FAADLO Cn1nccc1CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001083432809 679533421 /nfs/dbraw/zinc/53/34/21/679533421.db2.gz FZUDKKSHLWQALP-KGLIPLIRSA-N 1 2 351.407 -2.017 20 0 FAADLO Cn1nccc1CC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001083433093 679533638 /nfs/dbraw/zinc/53/36/38/679533638.db2.gz VKGGKPTXXPNUNK-CFVMTHIKSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1nccc1CC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001083433093 679533635 /nfs/dbraw/zinc/53/36/35/679533635.db2.gz VKGGKPTXXPNUNK-CFVMTHIKSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1nccc1CC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001083433094 679533595 /nfs/dbraw/zinc/53/35/95/679533595.db2.gz VKGGKPTXXPNUNK-YUELXQCFSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1nccc1CC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001083433094 679533590 /nfs/dbraw/zinc/53/35/90/679533590.db2.gz VKGGKPTXXPNUNK-YUELXQCFSA-N 1 2 370.475 -1.051 20 0 FAADLO O=C(Cc1cncnc1)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001083433558 679533630 /nfs/dbraw/zinc/53/36/30/679533630.db2.gz QXHFKFRAIDKCEF-KGLIPLIRSA-N 1 2 369.447 -1.784 20 0 FAADLO O=C(Cc1cncnc1)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001083433558 679533628 /nfs/dbraw/zinc/53/36/28/679533628.db2.gz QXHFKFRAIDKCEF-KGLIPLIRSA-N 1 2 369.447 -1.784 20 0 FAADLO O=C(Cc1cncnc1)N[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001083433731 679533677 /nfs/dbraw/zinc/53/36/77/679533677.db2.gz ZMBXJEVCYAYXRF-BNOWGMLFSA-N 1 2 354.432 -1.385 20 0 FAADLO O=C(Cc1cncnc1)N[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001083433731 679533673 /nfs/dbraw/zinc/53/36/73/679533673.db2.gz ZMBXJEVCYAYXRF-BNOWGMLFSA-N 1 2 354.432 -1.385 20 0 FAADLO O=C(Cc1cncnc1)N[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001083433732 679533490 /nfs/dbraw/zinc/53/34/90/679533490.db2.gz ZMBXJEVCYAYXRF-YUTCNCBUSA-N 1 2 354.432 -1.385 20 0 FAADLO O=C(Cc1cncnc1)N[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001083433732 679533486 /nfs/dbraw/zinc/53/34/86/679533486.db2.gz ZMBXJEVCYAYXRF-YUTCNCBUSA-N 1 2 354.432 -1.385 20 0 FAADLO CCn1ccnc1C(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001083434016 679533513 /nfs/dbraw/zinc/53/35/13/679533513.db2.gz OCXZSXXGGPSKMM-OLZOCXBDSA-N 1 2 371.463 -1.287 20 0 FAADLO CCn1ccnc1C(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001083434016 679533511 /nfs/dbraw/zinc/53/35/11/679533511.db2.gz OCXZSXXGGPSKMM-OLZOCXBDSA-N 1 2 371.463 -1.287 20 0 FAADLO O=C(C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCOCC2)[C@@H](O)C1)N1CCOCC1 ZINC001083434907 679534078 /nfs/dbraw/zinc/53/40/78/679534078.db2.gz UMOATDDTHYCTNS-KFWWJZLASA-N 1 2 355.435 -1.177 20 0 FAADLO O=C(C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCOCC2)[C@@H](O)C1)N1CCOCC1 ZINC001083434907 679534075 /nfs/dbraw/zinc/53/40/75/679534075.db2.gz UMOATDDTHYCTNS-KFWWJZLASA-N 1 2 355.435 -1.177 20 0 FAADLO O=C(C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCOCC2)[C@@H](O)C1)N1CCOCC1 ZINC001083434908 679534108 /nfs/dbraw/zinc/53/41/08/679534108.db2.gz UMOATDDTHYCTNS-ZNMIVQPWSA-N 1 2 355.435 -1.177 20 0 FAADLO O=C(C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCOCC2)[C@@H](O)C1)N1CCOCC1 ZINC001083434908 679534103 /nfs/dbraw/zinc/53/41/03/679534103.db2.gz UMOATDDTHYCTNS-ZNMIVQPWSA-N 1 2 355.435 -1.177 20 0 FAADLO CCn1ccnc1C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083435029 679533559 /nfs/dbraw/zinc/53/35/59/679533559.db2.gz YJHTYLXLNXPYBQ-MNOVXSKESA-N 1 2 350.379 -1.770 20 0 FAADLO CCn1ccnc1C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083435029 679533555 /nfs/dbraw/zinc/53/35/55/679533555.db2.gz YJHTYLXLNXPYBQ-MNOVXSKESA-N 1 2 350.379 -1.770 20 0 FAADLO O=C(C[N@H+]1C[C@@H](NC(=O)C2CCC(O)CC2)[C@@H](O)C1)N1CCOCC1 ZINC001083435556 679534233 /nfs/dbraw/zinc/53/42/33/679534233.db2.gz ZCMFYBAJHAOSAC-CVSAEHQPSA-N 1 2 355.435 -1.442 20 0 FAADLO O=C(C[N@@H+]1C[C@@H](NC(=O)C2CCC(O)CC2)[C@@H](O)C1)N1CCOCC1 ZINC001083435556 679534231 /nfs/dbraw/zinc/53/42/31/679534231.db2.gz ZCMFYBAJHAOSAC-CVSAEHQPSA-N 1 2 355.435 -1.442 20 0 FAADLO Cc1ccnc(C(=O)N[C@@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@@H]2O)n1 ZINC001083436513 679534303 /nfs/dbraw/zinc/53/43/03/679534303.db2.gz XIYPTHUXGHWCKX-OLZOCXBDSA-N 1 2 369.447 -1.405 20 0 FAADLO Cc1ccnc(C(=O)N[C@@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@@H]2O)n1 ZINC001083436513 679534300 /nfs/dbraw/zinc/53/43/00/679534300.db2.gz XIYPTHUXGHWCKX-OLZOCXBDSA-N 1 2 369.447 -1.405 20 0 FAADLO Cc1csc(=O)n1CC[N@@H+]1C[C@@H](NC(=O)c2cnnn2C)[C@@H](O)C1 ZINC001083437236 679534026 /nfs/dbraw/zinc/53/40/26/679534026.db2.gz IFJHJRMEGLQLKU-PWSUYJOCSA-N 1 2 352.420 -1.178 20 0 FAADLO Cc1csc(=O)n1CC[N@H+]1C[C@@H](NC(=O)c2cnnn2C)[C@@H](O)C1 ZINC001083437236 679534023 /nfs/dbraw/zinc/53/40/23/679534023.db2.gz IFJHJRMEGLQLKU-PWSUYJOCSA-N 1 2 352.420 -1.178 20 0 FAADLO Cn1nncc1C(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@@H]1O ZINC001083437372 679534043 /nfs/dbraw/zinc/53/40/43/679534043.db2.gz NXDLGTGEBUKAPS-MDZLAQPJSA-N 1 2 350.423 -1.011 20 0 FAADLO Cn1nncc1C(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@@H]1O ZINC001083437372 679534041 /nfs/dbraw/zinc/53/40/41/679534041.db2.gz NXDLGTGEBUKAPS-MDZLAQPJSA-N 1 2 350.423 -1.011 20 0 FAADLO Cn1nncc1C(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@@H]1O ZINC001083437373 679534123 /nfs/dbraw/zinc/53/41/23/679534123.db2.gz NXDLGTGEBUKAPS-WZRBSPASSA-N 1 2 350.423 -1.011 20 0 FAADLO Cn1nncc1C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@@H]1O ZINC001083437373 679534118 /nfs/dbraw/zinc/53/41/18/679534118.db2.gz NXDLGTGEBUKAPS-WZRBSPASSA-N 1 2 350.423 -1.011 20 0 FAADLO C[C@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](NC(=O)c2cnnn2C)[C@@H](O)C1 ZINC001083437398 679534289 /nfs/dbraw/zinc/53/42/89/679534289.db2.gz PEQBDWDHIPZPHQ-BZPMIXESSA-N 1 2 350.423 -1.009 20 0 FAADLO C[C@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](NC(=O)c2cnnn2C)[C@@H](O)C1 ZINC001083437398 679534286 /nfs/dbraw/zinc/53/42/86/679534286.db2.gz PEQBDWDHIPZPHQ-BZPMIXESSA-N 1 2 350.423 -1.009 20 0 FAADLO C[C@@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](NC(=O)c2cnnn2C)[C@@H](O)C1 ZINC001083437399 679534191 /nfs/dbraw/zinc/53/41/91/679534191.db2.gz PEQBDWDHIPZPHQ-SCRDCRAPSA-N 1 2 350.423 -1.009 20 0 FAADLO C[C@@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](NC(=O)c2cnnn2C)[C@@H](O)C1 ZINC001083437399 679534187 /nfs/dbraw/zinc/53/41/87/679534187.db2.gz PEQBDWDHIPZPHQ-SCRDCRAPSA-N 1 2 350.423 -1.009 20 0 FAADLO CC1CCN(C(=O)C[N@@H+]2C[C@@H](NC(=O)[C@@H]3COC(=O)N3)[C@@H](O)C2)CC1 ZINC001083438172 679534159 /nfs/dbraw/zinc/53/41/59/679534159.db2.gz XEAMQBCGSCCPFG-AGIUHOORSA-N 1 2 354.407 -1.485 20 0 FAADLO CC1CCN(C(=O)C[N@H+]2C[C@@H](NC(=O)[C@@H]3COC(=O)N3)[C@@H](O)C2)CC1 ZINC001083438172 679534154 /nfs/dbraw/zinc/53/41/54/679534154.db2.gz XEAMQBCGSCCPFG-AGIUHOORSA-N 1 2 354.407 -1.485 20 0 FAADLO CC1CCN(C(=O)C[N@@H+]2C[C@@H](NC(=O)[C@H]3COC(=O)N3)[C@@H](O)C2)CC1 ZINC001083438173 679534278 /nfs/dbraw/zinc/53/42/78/679534278.db2.gz XEAMQBCGSCCPFG-UPJWGTAASA-N 1 2 354.407 -1.485 20 0 FAADLO CC1CCN(C(=O)C[N@H+]2C[C@@H](NC(=O)[C@H]3COC(=O)N3)[C@@H](O)C2)CC1 ZINC001083438173 679534274 /nfs/dbraw/zinc/53/42/74/679534274.db2.gz XEAMQBCGSCCPFG-UPJWGTAASA-N 1 2 354.407 -1.485 20 0 FAADLO Cn1nncc1C(=O)N[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@@H]1O ZINC001083438293 679534537 /nfs/dbraw/zinc/53/45/37/679534537.db2.gz DESAVXKASLCCEG-YPMHNXCESA-N 1 2 357.436 -1.585 20 0 FAADLO Cn1nncc1C(=O)N[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@@H]1O ZINC001083438293 679534534 /nfs/dbraw/zinc/53/45/34/679534534.db2.gz DESAVXKASLCCEG-YPMHNXCESA-N 1 2 357.436 -1.585 20 0 FAADLO Cn1nncc1C(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001083438642 679534488 /nfs/dbraw/zinc/53/44/88/679534488.db2.gz UQGHNAVWNYJEBZ-PWSUYJOCSA-N 1 2 358.424 -2.375 20 0 FAADLO Cn1nncc1C(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001083438642 679534484 /nfs/dbraw/zinc/53/44/84/679534484.db2.gz UQGHNAVWNYJEBZ-PWSUYJOCSA-N 1 2 358.424 -2.375 20 0 FAADLO O=C(N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@@H]1O)[C@H]1COC(=O)N1 ZINC001083439555 679534962 /nfs/dbraw/zinc/53/49/62/679534962.db2.gz HPJJGYAYKBQNST-MXWKQRLJSA-N 1 2 362.408 -2.708 20 0 FAADLO O=C(N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1O)[C@H]1COC(=O)N1 ZINC001083439555 679534957 /nfs/dbraw/zinc/53/49/57/679534957.db2.gz HPJJGYAYKBQNST-MXWKQRLJSA-N 1 2 362.408 -2.708 20 0 FAADLO O=C(N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@@H]1O)[C@@H]1COC(=O)N1 ZINC001083439556 679534810 /nfs/dbraw/zinc/53/48/10/679534810.db2.gz HPJJGYAYKBQNST-VWYCJHECSA-N 1 2 362.408 -2.708 20 0 FAADLO O=C(N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1O)[C@@H]1COC(=O)N1 ZINC001083439556 679534806 /nfs/dbraw/zinc/53/48/06/679534806.db2.gz HPJJGYAYKBQNST-VWYCJHECSA-N 1 2 362.408 -2.708 20 0 FAADLO O=C(N[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@@H]1O)[C@H]1COC(=O)N1 ZINC001083439751 679534850 /nfs/dbraw/zinc/53/48/50/679534850.db2.gz NJHGMCZUAFDWJR-UTUOFQBUSA-N 1 2 361.420 -1.919 20 0 FAADLO O=C(N[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@@H]1O)[C@H]1COC(=O)N1 ZINC001083439751 679534847 /nfs/dbraw/zinc/53/48/47/679534847.db2.gz NJHGMCZUAFDWJR-UTUOFQBUSA-N 1 2 361.420 -1.919 20 0 FAADLO O=C(N[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@@H]1O)[C@@H]1COC(=O)N1 ZINC001083439752 679535027 /nfs/dbraw/zinc/53/50/27/679535027.db2.gz NJHGMCZUAFDWJR-WOPDTQHZSA-N 1 2 361.420 -1.919 20 0 FAADLO O=C(N[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@@H]1O)[C@@H]1COC(=O)N1 ZINC001083439752 679535024 /nfs/dbraw/zinc/53/50/24/679535024.db2.gz NJHGMCZUAFDWJR-WOPDTQHZSA-N 1 2 361.420 -1.919 20 0 FAADLO Cc1csc(=O)n1CC[N@@H+]1C[C@@H](NC(=O)[C@H]2COC(=O)N2)[C@@H](O)C1 ZINC001083439883 679535058 /nfs/dbraw/zinc/53/50/58/679535058.db2.gz RZNUQGDNOBVBFE-MXWKQRLJSA-N 1 2 356.404 -1.512 20 0 FAADLO Cc1csc(=O)n1CC[N@H+]1C[C@@H](NC(=O)[C@H]2COC(=O)N2)[C@@H](O)C1 ZINC001083439883 679535055 /nfs/dbraw/zinc/53/50/55/679535055.db2.gz RZNUQGDNOBVBFE-MXWKQRLJSA-N 1 2 356.404 -1.512 20 0 FAADLO Cc1csc(=O)n1CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)[C@@H](O)C1 ZINC001083439884 679534917 /nfs/dbraw/zinc/53/49/17/679534917.db2.gz RZNUQGDNOBVBFE-VWYCJHECSA-N 1 2 356.404 -1.512 20 0 FAADLO Cc1csc(=O)n1CC[N@H+]1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)[C@@H](O)C1 ZINC001083439884 679534913 /nfs/dbraw/zinc/53/49/13/679534913.db2.gz RZNUQGDNOBVBFE-VWYCJHECSA-N 1 2 356.404 -1.512 20 0 FAADLO O=C(C[N@H+]1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)[C@@H](O)C1)N1CCCCCC1 ZINC001083439912 679534998 /nfs/dbraw/zinc/53/49/98/679534998.db2.gz TVAVKGYAJOFKLN-AGIUHOORSA-N 1 2 354.407 -1.341 20 0 FAADLO O=C(C[N@@H+]1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)[C@@H](O)C1)N1CCCCCC1 ZINC001083439912 679534995 /nfs/dbraw/zinc/53/49/95/679534995.db2.gz TVAVKGYAJOFKLN-AGIUHOORSA-N 1 2 354.407 -1.341 20 0 FAADLO O=C(C[N@H+]1C[C@@H](NC(=O)[C@H]2COC(=O)N2)[C@@H](O)C1)N1CCCCCC1 ZINC001083439913 679534886 /nfs/dbraw/zinc/53/48/86/679534886.db2.gz TVAVKGYAJOFKLN-UPJWGTAASA-N 1 2 354.407 -1.341 20 0 FAADLO O=C(C[N@@H+]1C[C@@H](NC(=O)[C@H]2COC(=O)N2)[C@@H](O)C1)N1CCCCCC1 ZINC001083439913 679534882 /nfs/dbraw/zinc/53/48/82/679534882.db2.gz TVAVKGYAJOFKLN-UPJWGTAASA-N 1 2 354.407 -1.341 20 0 FAADLO CCn1ncc(C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@@H]2O)n1 ZINC001083442053 679535374 /nfs/dbraw/zinc/53/53/74/679535374.db2.gz SCHBTHUFDWQCKV-NEPJUHHUSA-N 1 2 350.379 -1.778 20 0 FAADLO CCn1ncc(C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@@H]2O)n1 ZINC001083442053 679535373 /nfs/dbraw/zinc/53/53/73/679535373.db2.gz SCHBTHUFDWQCKV-NEPJUHHUSA-N 1 2 350.379 -1.778 20 0 FAADLO CCOC1CC(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@@H]2O)C1 ZINC001083442310 679535186 /nfs/dbraw/zinc/53/51/86/679535186.db2.gz GQAVWMRTBQOMGW-CVSAEHQPSA-N 1 2 355.435 -1.178 20 0 FAADLO CCOC1CC(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@@H]2O)C1 ZINC001083442310 679535183 /nfs/dbraw/zinc/53/51/83/679535183.db2.gz GQAVWMRTBQOMGW-CVSAEHQPSA-N 1 2 355.435 -1.178 20 0 FAADLO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CC3CCS(=O)(=O)CC3)C[C@@H]2O)nn1 ZINC001083442708 679535345 /nfs/dbraw/zinc/53/53/45/679535345.db2.gz CFFQWQBNEUOZOH-YPMHNXCESA-N 1 2 357.436 -1.585 20 0 FAADLO Cn1cc(C(=O)N[C@@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@@H]2O)nn1 ZINC001083442708 679535344 /nfs/dbraw/zinc/53/53/44/679535344.db2.gz CFFQWQBNEUOZOH-YPMHNXCESA-N 1 2 357.436 -1.585 20 0 FAADLO Cn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(C(C)(C)C)C3=O)C[C@@H]2O)nn1 ZINC001083442812 679535284 /nfs/dbraw/zinc/53/52/84/679535284.db2.gz HMRLTLZWEHALBG-RTXFEEFZSA-N 1 2 350.423 -1.011 20 0 FAADLO Cn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(C(C)(C)C)C3=O)C[C@@H]2O)nn1 ZINC001083442812 679535279 /nfs/dbraw/zinc/53/52/79/679535279.db2.gz HMRLTLZWEHALBG-RTXFEEFZSA-N 1 2 350.423 -1.011 20 0 FAADLO Cn1cc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(C(C)(C)C)C3=O)C[C@@H]2O)nn1 ZINC001083442813 679535269 /nfs/dbraw/zinc/53/52/69/679535269.db2.gz HMRLTLZWEHALBG-WXHSDQCUSA-N 1 2 350.423 -1.011 20 0 FAADLO Cn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(C(C)(C)C)C3=O)C[C@@H]2O)nn1 ZINC001083442813 679535264 /nfs/dbraw/zinc/53/52/64/679535264.db2.gz HMRLTLZWEHALBG-WXHSDQCUSA-N 1 2 350.423 -1.011 20 0 FAADLO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@@H]2O)nn1 ZINC001083442826 679535206 /nfs/dbraw/zinc/53/52/06/679535206.db2.gz IJBJLKOGTFTMPG-PWSUYJOCSA-N 1 2 358.424 -2.375 20 0 FAADLO Cn1cc(C(=O)N[C@@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@@H]2O)nn1 ZINC001083442826 679535202 /nfs/dbraw/zinc/53/52/02/679535202.db2.gz IJBJLKOGTFTMPG-PWSUYJOCSA-N 1 2 358.424 -2.375 20 0 FAADLO C[C@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](NC(=O)c2ncn(C)n2)[C@@H](O)C1 ZINC001083443177 679535337 /nfs/dbraw/zinc/53/53/37/679535337.db2.gz XGKNHIDMMFQTEZ-UPJWGTAASA-N 1 2 350.423 -1.009 20 0 FAADLO C[C@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](NC(=O)c2ncn(C)n2)[C@@H](O)C1 ZINC001083443177 679535335 /nfs/dbraw/zinc/53/53/35/679535335.db2.gz XGKNHIDMMFQTEZ-UPJWGTAASA-N 1 2 350.423 -1.009 20 0 FAADLO C[C@@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](NC(=O)c2ncn(C)n2)[C@@H](O)C1 ZINC001083443178 679535424 /nfs/dbraw/zinc/53/54/24/679535424.db2.gz XGKNHIDMMFQTEZ-XQQFMLRXSA-N 1 2 350.423 -1.009 20 0 FAADLO C[C@@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](NC(=O)c2ncn(C)n2)[C@@H](O)C1 ZINC001083443178 679535421 /nfs/dbraw/zinc/53/54/21/679535421.db2.gz XGKNHIDMMFQTEZ-XQQFMLRXSA-N 1 2 350.423 -1.009 20 0 FAADLO Cn1c(=O)cc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC3(F)F)[C@@H](O)C2)n(C)c1=O ZINC001083443393 679535438 /nfs/dbraw/zinc/53/54/38/679535438.db2.gz IJGVCLRQOZLFBU-AXFHLTTASA-N 1 2 358.345 -1.600 20 0 FAADLO Cn1c(=O)cc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CC3(F)F)[C@@H](O)C2)n(C)c1=O ZINC001083443393 679535434 /nfs/dbraw/zinc/53/54/34/679535434.db2.gz IJGVCLRQOZLFBU-AXFHLTTASA-N 1 2 358.345 -1.600 20 0 FAADLO Cn1c(=O)cc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CC3(F)F)[C@@H](O)C2)n(C)c1=O ZINC001083443394 679535324 /nfs/dbraw/zinc/53/53/24/679535324.db2.gz IJGVCLRQOZLFBU-MXWKQRLJSA-N 1 2 358.345 -1.600 20 0 FAADLO Cn1c(=O)cc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CC3(F)F)[C@@H](O)C2)n(C)c1=O ZINC001083443394 679535322 /nfs/dbraw/zinc/53/53/22/679535322.db2.gz IJGVCLRQOZLFBU-MXWKQRLJSA-N 1 2 358.345 -1.600 20 0 FAADLO C[C@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](NC(=O)c2cn(C)nn2)[C@@H](O)C1 ZINC001083443526 679535395 /nfs/dbraw/zinc/53/53/95/679535395.db2.gz NFGJQIYXXRATDX-BZPMIXESSA-N 1 2 350.423 -1.009 20 0 FAADLO C[C@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](NC(=O)c2cn(C)nn2)[C@@H](O)C1 ZINC001083443526 679535391 /nfs/dbraw/zinc/53/53/91/679535391.db2.gz NFGJQIYXXRATDX-BZPMIXESSA-N 1 2 350.423 -1.009 20 0 FAADLO C[C@@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](NC(=O)c2cn(C)nn2)[C@@H](O)C1 ZINC001083443527 679535458 /nfs/dbraw/zinc/53/54/58/679535458.db2.gz NFGJQIYXXRATDX-SCRDCRAPSA-N 1 2 350.423 -1.009 20 0 FAADLO C[C@@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](NC(=O)c2cn(C)nn2)[C@@H](O)C1 ZINC001083443527 679535454 /nfs/dbraw/zinc/53/54/54/679535454.db2.gz NFGJQIYXXRATDX-SCRDCRAPSA-N 1 2 350.423 -1.009 20 0 FAADLO Cc1csc(=O)n1CC[N@@H+]1C[C@@H](NC(=O)c2cn(C)nn2)[C@@H](O)C1 ZINC001083443539 679535489 /nfs/dbraw/zinc/53/54/89/679535489.db2.gz NUHXIRMCBXTKEV-PWSUYJOCSA-N 1 2 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Cc1nnc(CC(=O)N[C@@H]2C[N@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@@H]2O)[nH]1 ZINC001083452519 679536729 /nfs/dbraw/zinc/53/67/29/679536729.db2.gz OBWZTTMXAPWEIZ-UPJWGTAASA-N 1 2 371.463 -1.358 20 0 FAADLO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@@H]2O)[nH]1 ZINC001083452520 679536639 /nfs/dbraw/zinc/53/66/39/679536639.db2.gz OBWZTTMXAPWEIZ-XQQFMLRXSA-N 1 2 371.463 -1.358 20 0 FAADLO Cc1nnc(CC(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@@H]2O)[nH]1 ZINC001083452520 679536636 /nfs/dbraw/zinc/53/66/36/679536636.db2.gz OBWZTTMXAPWEIZ-XQQFMLRXSA-N 1 2 371.463 -1.358 20 0 FAADLO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(C(C)C)C3=O)C[C@@H]2O)[nH]1 ZINC001083452891 679536781 /nfs/dbraw/zinc/53/67/81/679536781.db2.gz HAQNXXVYKAABKM-AGIUHOORSA-N 1 2 350.423 -1.174 20 0 FAADLO Cc1nnc(CC(=O)N[C@@H]2C[N@H+]([C@H]3CCN(C(C)C)C3=O)C[C@@H]2O)[nH]1 ZINC001083452891 679536779 /nfs/dbraw/zinc/53/67/79/679536779.db2.gz HAQNXXVYKAABKM-AGIUHOORSA-N 1 2 350.423 -1.174 20 0 FAADLO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@@H]2O)[nH]1 ZINC001083452892 679536654 /nfs/dbraw/zinc/53/66/54/679536654.db2.gz HAQNXXVYKAABKM-UPJWGTAASA-N 1 2 350.423 -1.174 20 0 FAADLO Cc1nnc(CC(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@@H]2O)[nH]1 ZINC001083452892 679536651 /nfs/dbraw/zinc/53/66/51/679536651.db2.gz HAQNXXVYKAABKM-UPJWGTAASA-N 1 2 350.423 -1.174 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2O)nn1 ZINC001083453102 679536566 /nfs/dbraw/zinc/53/65/66/679536566.db2.gz PNFAFLACAYPDIH-RTXFEEFZSA-N 1 2 352.395 -2.070 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2O)nn1 ZINC001083453102 679536561 /nfs/dbraw/zinc/53/65/61/679536561.db2.gz PNFAFLACAYPDIH-RTXFEEFZSA-N 1 2 352.395 -2.070 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@@H]2O)nn1 ZINC001083453103 679536746 /nfs/dbraw/zinc/53/67/46/679536746.db2.gz PNFAFLACAYPDIH-WXHSDQCUSA-N 1 2 352.395 -2.070 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@@H]2O)nn1 ZINC001083453103 679536745 /nfs/dbraw/zinc/53/67/45/679536745.db2.gz PNFAFLACAYPDIH-WXHSDQCUSA-N 1 2 352.395 -2.070 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]2O)nn1 ZINC001083453303 679536820 /nfs/dbraw/zinc/53/68/20/679536820.db2.gz ZKDYGDSMPHHYIM-LOWVWBTDSA-N 1 2 354.411 -1.824 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]2O)nn1 ZINC001083453303 679536815 /nfs/dbraw/zinc/53/68/15/679536815.db2.gz ZKDYGDSMPHHYIM-LOWVWBTDSA-N 1 2 354.411 -1.824 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)N(C)C)C[C@@H]2O)nn1 ZINC001083453304 679536743 /nfs/dbraw/zinc/53/67/43/679536743.db2.gz ZKDYGDSMPHHYIM-WZRBSPASSA-N 1 2 354.411 -1.824 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@@H]2O)nn1 ZINC001083453304 679536742 /nfs/dbraw/zinc/53/67/42/679536742.db2.gz ZKDYGDSMPHHYIM-WZRBSPASSA-N 1 2 354.411 -1.824 20 0 FAADLO Cc1nc(CC(=O)N[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@@H]2O)n[nH]1 ZINC001083453702 679536710 /nfs/dbraw/zinc/53/67/10/679536710.db2.gz SLLNEFFLDDWXRF-OLZOCXBDSA-N 1 2 350.423 -1.171 20 0 FAADLO Cc1nc(CC(=O)N[C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@@H]2O)n[nH]1 ZINC001083453702 679536709 /nfs/dbraw/zinc/53/67/09/679536709.db2.gz SLLNEFFLDDWXRF-OLZOCXBDSA-N 1 2 350.423 -1.171 20 0 FAADLO Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@@H]2O)nn1 ZINC001083454234 679536700 /nfs/dbraw/zinc/53/67/00/679536700.db2.gz UBRHFJNBCLCBIV-KGLIPLIRSA-N 1 2 369.447 -1.405 20 0 FAADLO Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@@H]2O)nn1 ZINC001083454234 679536699 /nfs/dbraw/zinc/53/66/99/679536699.db2.gz UBRHFJNBCLCBIV-KGLIPLIRSA-N 1 2 369.447 -1.405 20 0 FAADLO Cc1cn(C)nc1C(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001083454799 679536853 /nfs/dbraw/zinc/53/68/53/679536853.db2.gz VJVLMINZZHPNIQ-OLZOCXBDSA-N 1 2 371.463 -1.461 20 0 FAADLO Cc1cn(C)nc1C(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001083454799 679536849 /nfs/dbraw/zinc/53/68/49/679536849.db2.gz VJVLMINZZHPNIQ-OLZOCXBDSA-N 1 2 371.463 -1.461 20 0 FAADLO Cc1cn(C)nc1C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083454874 679536753 /nfs/dbraw/zinc/53/67/53/679536753.db2.gz ZKATZVYDEGOTLC-MNOVXSKESA-N 1 2 350.379 -1.945 20 0 FAADLO Cc1cn(C)nc1C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083454874 679536752 /nfs/dbraw/zinc/53/67/52/679536752.db2.gz ZKATZVYDEGOTLC-MNOVXSKESA-N 1 2 350.379 -1.945 20 0 FAADLO Cn1ccc(CC(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@@H]2O)n1 ZINC001083454942 679536704 /nfs/dbraw/zinc/53/67/04/679536704.db2.gz CRMLVVMPVKLBCV-KGLIPLIRSA-N 1 2 351.407 -2.017 20 0 FAADLO Cn1ccc(CC(=O)N[C@@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@@H]2O)n1 ZINC001083454942 679536703 /nfs/dbraw/zinc/53/67/03/679536703.db2.gz CRMLVVMPVKLBCV-KGLIPLIRSA-N 1 2 351.407 -2.017 20 0 FAADLO Cn1ccc(CC(=O)N[C@@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@@H]2O)n1 ZINC001083455003 679536837 /nfs/dbraw/zinc/53/68/37/679536837.db2.gz HCNPPLQNAIYAPF-KGLIPLIRSA-N 1 2 371.463 -1.841 20 0 FAADLO Cn1ccc(CC(=O)N[C@@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@@H]2O)n1 ZINC001083455003 679536835 /nfs/dbraw/zinc/53/68/35/679536835.db2.gz HCNPPLQNAIYAPF-KGLIPLIRSA-N 1 2 371.463 -1.841 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]2O)nn1 ZINC001083455116 679536717 /nfs/dbraw/zinc/53/67/17/679536717.db2.gz NKGKJAFIFGADQZ-RTXFEEFZSA-N 1 2 352.395 -2.022 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2O)nn1 ZINC001083455116 679536715 /nfs/dbraw/zinc/53/67/15/679536715.db2.gz NKGKJAFIFGADQZ-RTXFEEFZSA-N 1 2 352.395 -2.022 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]2O)nn1 ZINC001083455117 679536734 /nfs/dbraw/zinc/53/67/34/679536734.db2.gz NKGKJAFIFGADQZ-WXHSDQCUSA-N 1 2 352.395 -2.022 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2O)nn1 ZINC001083455117 679536733 /nfs/dbraw/zinc/53/67/33/679536733.db2.gz NKGKJAFIFGADQZ-WXHSDQCUSA-N 1 2 352.395 -2.022 20 0 FAADLO Cn1ccc(CC(=O)N[C@@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@@H]2O)n1 ZINC001083455148 679536664 /nfs/dbraw/zinc/53/66/64/679536664.db2.gz OSTRWQREVRIEFR-BNOWGMLFSA-N 1 2 356.448 -1.441 20 0 FAADLO Cn1ccc(CC(=O)N[C@@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@@H]2O)n1 ZINC001083455148 679536660 /nfs/dbraw/zinc/53/66/60/679536660.db2.gz OSTRWQREVRIEFR-BNOWGMLFSA-N 1 2 356.448 -1.441 20 0 FAADLO Cn1ccc(CC(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@@H]2O)n1 ZINC001083455149 679536768 /nfs/dbraw/zinc/53/67/68/679536768.db2.gz OSTRWQREVRIEFR-YUTCNCBUSA-N 1 2 356.448 -1.441 20 0 FAADLO Cn1ccc(CC(=O)N[C@@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@@H]2O)n1 ZINC001083455149 679536766 /nfs/dbraw/zinc/53/67/66/679536766.db2.gz OSTRWQREVRIEFR-YUTCNCBUSA-N 1 2 356.448 -1.441 20 0 FAADLO Cn1ccc(CC(=O)N[C@@H]2C[N@@H+](CC3CCS(=O)(=O)CC3)C[C@@H]2O)n1 ZINC001083455164 679536809 /nfs/dbraw/zinc/53/68/09/679536809.db2.gz PGUYQSHBVXBPOS-CABCVRRESA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1ccc(CC(=O)N[C@@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@@H]2O)n1 ZINC001083455164 679536805 /nfs/dbraw/zinc/53/68/05/679536805.db2.gz PGUYQSHBVXBPOS-CABCVRRESA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1ccc(CC(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@@H]2O)n1 ZINC001083455257 679537126 /nfs/dbraw/zinc/53/71/26/679537126.db2.gz UTXCMPSQTYQOFG-CFVMTHIKSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1ccc(CC(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@@H]2O)n1 ZINC001083455257 679537124 /nfs/dbraw/zinc/53/71/24/679537124.db2.gz UTXCMPSQTYQOFG-CFVMTHIKSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1ccc(CC(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@@H]2O)n1 ZINC001083455258 679537136 /nfs/dbraw/zinc/53/71/36/679537136.db2.gz UTXCMPSQTYQOFG-YUELXQCFSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1ccc(CC(=O)N[C@@H]2C[N@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@@H]2O)n1 ZINC001083455258 679537133 /nfs/dbraw/zinc/53/71/33/679537133.db2.gz UTXCMPSQTYQOFG-YUELXQCFSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1ccc(CC(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@@H]2O)n1 ZINC001083455263 679537221 /nfs/dbraw/zinc/53/72/21/679537221.db2.gz VDCAMIWHAJPRJD-CFVMTHIKSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1ccc(CC(=O)N[C@@H]2C[N@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@@H]2O)n1 ZINC001083455263 679537218 /nfs/dbraw/zinc/53/72/18/679537218.db2.gz VDCAMIWHAJPRJD-CFVMTHIKSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1ccc(CC(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCS(=O)(=O)C3)C[C@@H]2O)n1 ZINC001083455264 679537250 /nfs/dbraw/zinc/53/72/50/679537250.db2.gz VDCAMIWHAJPRJD-YUELXQCFSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1ccc(CC(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCS(=O)(=O)C3)C[C@@H]2O)n1 ZINC001083455264 679537248 /nfs/dbraw/zinc/53/72/48/679537248.db2.gz VDCAMIWHAJPRJD-YUELXQCFSA-N 1 2 370.475 -1.051 20 0 FAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cn(CCOC)nc2C)[C@@H](O)C1 ZINC001083458364 679537210 /nfs/dbraw/zinc/53/72/10/679537210.db2.gz KGPBEWWCSMITHW-BNOWGMLFSA-N 1 2 353.423 -1.253 20 0 FAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cn(CCOC)nc2C)[C@@H](O)C1 ZINC001083458364 679537207 /nfs/dbraw/zinc/53/72/07/679537207.db2.gz KGPBEWWCSMITHW-BNOWGMLFSA-N 1 2 353.423 -1.253 20 0 FAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cn(CCOC)nc2C)[C@@H](O)C1 ZINC001083458365 679537096 /nfs/dbraw/zinc/53/70/96/679537096.db2.gz KGPBEWWCSMITHW-YUTCNCBUSA-N 1 2 353.423 -1.253 20 0 FAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cn(CCOC)nc2C)[C@@H](O)C1 ZINC001083458365 679537094 /nfs/dbraw/zinc/53/70/94/679537094.db2.gz KGPBEWWCSMITHW-YUTCNCBUSA-N 1 2 353.423 -1.253 20 0 FAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2cn(CCOC)nc2C)[C@@H](O)C1 ZINC001083458375 679537264 /nfs/dbraw/zinc/53/72/64/679537264.db2.gz KWRKSKSRKVODKD-MCIONIFRSA-N 1 2 353.423 -1.123 20 0 FAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2cn(CCOC)nc2C)[C@@H](O)C1 ZINC001083458375 679537261 /nfs/dbraw/zinc/53/72/61/679537261.db2.gz KWRKSKSRKVODKD-MCIONIFRSA-N 1 2 353.423 -1.123 20 0 FAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2cn(CCOC)nc2C)[C@@H](O)C1 ZINC001083458376 679537104 /nfs/dbraw/zinc/53/71/04/679537104.db2.gz KWRKSKSRKVODKD-RDBSUJKOSA-N 1 2 353.423 -1.123 20 0 FAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2cn(CCOC)nc2C)[C@@H](O)C1 ZINC001083458376 679537101 /nfs/dbraw/zinc/53/71/01/679537101.db2.gz KWRKSKSRKVODKD-RDBSUJKOSA-N 1 2 353.423 -1.123 20 0 FAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2cnn(CCOC)c2C)[C@@H](O)C1 ZINC001083458459 679537119 /nfs/dbraw/zinc/53/71/19/679537119.db2.gz PEOQGZQTVVTTTB-MCIONIFRSA-N 1 2 353.423 -1.123 20 0 FAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2cnn(CCOC)c2C)[C@@H](O)C1 ZINC001083458459 679537118 /nfs/dbraw/zinc/53/71/18/679537118.db2.gz PEOQGZQTVVTTTB-MCIONIFRSA-N 1 2 353.423 -1.123 20 0 FAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2cnn(CCOC)c2C)[C@@H](O)C1 ZINC001083458460 679537302 /nfs/dbraw/zinc/53/73/02/679537302.db2.gz PEOQGZQTVVTTTB-RDBSUJKOSA-N 1 2 353.423 -1.123 20 0 FAADLO 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/nfs/dbraw/zinc/53/79/87/679537987.db2.gz HQOOMBLVVLYAQW-XQQFMLRXSA-N 1 2 351.411 -1.765 20 0 FAADLO C[C@@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001083464438 679537982 /nfs/dbraw/zinc/53/79/82/679537982.db2.gz HQOOMBLVVLYAQW-XQQFMLRXSA-N 1 2 351.411 -1.765 20 0 FAADLO Cn1ncc(Cl)c1C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083464938 679538160 /nfs/dbraw/zinc/53/81/60/679538160.db2.gz GTCIOMSRXCJESQ-ZJUUUORDSA-N 1 2 370.797 -1.600 20 0 FAADLO Cn1ncc(Cl)c1C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083464938 679538158 /nfs/dbraw/zinc/53/81/58/679538158.db2.gz GTCIOMSRXCJESQ-ZJUUUORDSA-N 1 2 370.797 -1.600 20 0 FAADLO COc1cc(C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2O)ncn1 ZINC001083464951 679538072 /nfs/dbraw/zinc/53/80/72/679538072.db2.gz HNIOFJJXDHRMKU-NEPJUHHUSA-N 1 2 350.379 -1.715 20 0 FAADLO COc1cc(C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]2O)ncn1 ZINC001083464951 679538069 /nfs/dbraw/zinc/53/80/69/679538069.db2.gz HNIOFJJXDHRMKU-NEPJUHHUSA-N 1 2 350.379 -1.715 20 0 FAADLO Cn1ncc(Cl)c1C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001083465140 679538243 /nfs/dbraw/zinc/53/82/43/679538243.db2.gz PVQWKPYRAPIECN-MNOVXSKESA-N 1 2 369.809 -1.003 20 0 FAADLO Cn1ncc(Cl)c1C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001083465140 679538241 /nfs/dbraw/zinc/53/82/41/679538241.db2.gz PVQWKPYRAPIECN-MNOVXSKESA-N 1 2 369.809 -1.003 20 0 FAADLO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@@H]2O)C1 ZINC001083469504 679538687 /nfs/dbraw/zinc/53/86/87/679538687.db2.gz VNLJSKZCKYQEAW-ZRJCITRHSA-N 1 2 352.435 -1.317 20 0 FAADLO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@@H]2O)C1 ZINC001083469504 679538684 /nfs/dbraw/zinc/53/86/84/679538684.db2.gz VNLJSKZCKYQEAW-ZRJCITRHSA-N 1 2 352.435 -1.317 20 0 FAADLO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@@H]2O)C1 ZINC001083469597 679538697 /nfs/dbraw/zinc/53/86/97/679538697.db2.gz ZQHDJNRHRZSJAN-SYQHCUMBSA-N 1 2 352.435 -1.315 20 0 FAADLO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCC3)C[C@@H]2O)C1 ZINC001083469597 679538693 /nfs/dbraw/zinc/53/86/93/679538693.db2.gz ZQHDJNRHRZSJAN-SYQHCUMBSA-N 1 2 352.435 -1.315 20 0 FAADLO COc1cc(C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2O)sn1 ZINC001083471204 679538545 /nfs/dbraw/zinc/53/85/45/679538545.db2.gz KBPUPJNEDYBMGT-ZJUUUORDSA-N 1 2 355.420 -1.048 20 0 FAADLO COc1cc(C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]2O)sn1 ZINC001083471204 679538542 /nfs/dbraw/zinc/53/85/42/679538542.db2.gz KBPUPJNEDYBMGT-ZJUUUORDSA-N 1 2 355.420 -1.048 20 0 FAADLO CN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)Cn3cnc(C(N)=O)n3)[C@@H](O)C2)C1=O ZINC001083473522 679539771 /nfs/dbraw/zinc/53/97/71/679539771.db2.gz GZTPNWGGNSUBHX-BBBLOLIVSA-N 1 2 351.367 -3.231 20 0 FAADLO CN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)Cn3cnc(C(N)=O)n3)[C@@H](O)C2)C1=O ZINC001083473522 679539767 /nfs/dbraw/zinc/53/97/67/679539767.db2.gz GZTPNWGGNSUBHX-BBBLOLIVSA-N 1 2 351.367 -3.231 20 0 FAADLO CN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)Cn3cnc(C(N)=O)n3)[C@@H](O)C2)C1=O ZINC001083473523 679539638 /nfs/dbraw/zinc/53/96/38/679539638.db2.gz GZTPNWGGNSUBHX-UTLUCORTSA-N 1 2 351.367 -3.231 20 0 FAADLO CN1CC[C@H]([N@H+]2C[C@@H](NC(=O)Cn3cnc(C(N)=O)n3)[C@@H](O)C2)C1=O ZINC001083473523 679539636 /nfs/dbraw/zinc/53/96/36/679539636.db2.gz GZTPNWGGNSUBHX-UTLUCORTSA-N 1 2 351.367 -3.231 20 0 FAADLO Cc1cc(C[N@@H+]2C[C@@H](NC(=O)Cn3cnc(C(N)=O)n3)[C@@H](O)C2)sn1 ZINC001083473543 679539718 /nfs/dbraw/zinc/53/97/18/679539718.db2.gz HZHVIOFGSUUFCD-MNOVXSKESA-N 1 2 365.419 -1.497 20 0 FAADLO Cc1cc(C[N@H+]2C[C@@H](NC(=O)Cn3cnc(C(N)=O)n3)[C@@H](O)C2)sn1 ZINC001083473543 679539717 /nfs/dbraw/zinc/53/97/17/679539717.db2.gz HZHVIOFGSUUFCD-MNOVXSKESA-N 1 2 365.419 -1.497 20 0 FAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](O)C1 ZINC001083473618 679539542 /nfs/dbraw/zinc/53/95/42/679539542.db2.gz LTGROQCQIWPWRN-AEJSXWLSSA-N 1 2 353.383 -2.985 20 0 FAADLO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](O)C1 ZINC001083473618 679539540 /nfs/dbraw/zinc/53/95/40/679539540.db2.gz LTGROQCQIWPWRN-AEJSXWLSSA-N 1 2 353.383 -2.985 20 0 FAADLO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](O)C1 ZINC001083473619 679539505 /nfs/dbraw/zinc/53/95/05/679539505.db2.gz LTGROQCQIWPWRN-BBBLOLIVSA-N 1 2 353.383 -2.985 20 0 FAADLO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](O)C1 ZINC001083473619 679539500 /nfs/dbraw/zinc/53/95/00/679539500.db2.gz LTGROQCQIWPWRN-BBBLOLIVSA-N 1 2 353.383 -2.985 20 0 FAADLO Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)Cn3cnc(C(N)=O)n3)[C@@H](O)C2)s1 ZINC001083473745 679539686 /nfs/dbraw/zinc/53/96/86/679539686.db2.gz SYBMBTQZUBBLAG-MNOVXSKESA-N 1 2 365.419 -1.497 20 0 FAADLO Cc1ncc(C[N@H+]2C[C@@H](NC(=O)Cn3cnc(C(N)=O)n3)[C@@H](O)C2)s1 ZINC001083473745 679539685 /nfs/dbraw/zinc/53/96/85/679539685.db2.gz SYBMBTQZUBBLAG-MNOVXSKESA-N 1 2 365.419 -1.497 20 0 FAADLO NC(=O)c1ncn(CC(=O)N[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]2O)n1 ZINC001083473748 679539666 /nfs/dbraw/zinc/53/96/66/679539666.db2.gz TUDHJGXMTJLHSQ-BBBLOLIVSA-N 1 2 351.367 -3.183 20 0 FAADLO NC(=O)c1ncn(CC(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2O)n1 ZINC001083473748 679539665 /nfs/dbraw/zinc/53/96/65/679539665.db2.gz TUDHJGXMTJLHSQ-BBBLOLIVSA-N 1 2 351.367 -3.183 20 0 FAADLO NC(=O)c1ncn(CC(=O)N[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]2O)n1 ZINC001083473749 679539630 /nfs/dbraw/zinc/53/96/30/679539630.db2.gz TUDHJGXMTJLHSQ-UTLUCORTSA-N 1 2 351.367 -3.183 20 0 FAADLO NC(=O)c1ncn(CC(=O)N[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2O)n1 ZINC001083473749 679539627 /nfs/dbraw/zinc/53/96/27/679539627.db2.gz TUDHJGXMTJLHSQ-UTLUCORTSA-N 1 2 351.367 -3.183 20 0 FAADLO NC(=O)c1ncn(CC(=O)N[C@@H]2C[N@@H+](Cc3cncs3)C[C@@H]2O)n1 ZINC001083473751 679539705 /nfs/dbraw/zinc/53/97/05/679539705.db2.gz TYOFKZPFAFHXLQ-ZJUUUORDSA-N 1 2 351.392 -1.805 20 0 FAADLO NC(=O)c1ncn(CC(=O)N[C@@H]2C[N@H+](Cc3cncs3)C[C@@H]2O)n1 ZINC001083473751 679539702 /nfs/dbraw/zinc/53/97/02/679539702.db2.gz TYOFKZPFAFHXLQ-ZJUUUORDSA-N 1 2 351.392 -1.805 20 0 FAADLO NC(=O)c1ncn(CC(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)n1 ZINC001083474342 679539947 /nfs/dbraw/zinc/53/99/47/679539947.db2.gz BFHSQNKAJFGLLT-ZJUUUORDSA-N 1 2 351.367 -3.229 20 0 FAADLO NC(=O)c1ncn(CC(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2O)n1 ZINC001083474342 679539944 /nfs/dbraw/zinc/53/99/44/679539944.db2.gz BFHSQNKAJFGLLT-ZJUUUORDSA-N 1 2 351.367 -3.229 20 0 FAADLO O=C(N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@@H]1O)[C@]12C[C@H]1COC2 ZINC001083475766 679540145 /nfs/dbraw/zinc/54/01/45/679540145.db2.gz BITIKTWZOHAIFG-XFMPKHEZSA-N 1 2 359.448 -1.780 20 0 FAADLO O=C(N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1O)[C@]12C[C@H]1COC2 ZINC001083475766 679540143 /nfs/dbraw/zinc/54/01/43/679540143.db2.gz BITIKTWZOHAIFG-XFMPKHEZSA-N 1 2 359.448 -1.780 20 0 FAADLO CNC(=O)CN1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)[C@@H](O)C1 ZINC001083477214 679540134 /nfs/dbraw/zinc/54/01/34/679540134.db2.gz GJUFWHYSIXAIOA-MCIONIFRSA-N 1 2 350.423 -1.303 20 0 FAADLO CNC(=O)CN1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)[C@@H](O)C1 ZINC001083477214 679540132 /nfs/dbraw/zinc/54/01/32/679540132.db2.gz GJUFWHYSIXAIOA-MCIONIFRSA-N 1 2 350.423 -1.303 20 0 FAADLO CNC(=O)CN1C[C@@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)[C@@H](O)C1 ZINC001083477215 679540085 /nfs/dbraw/zinc/54/00/85/679540085.db2.gz GJUFWHYSIXAIOA-RDBSUJKOSA-N 1 2 350.423 -1.303 20 0 FAADLO CNC(=O)CN1C[C@@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)[C@@H](O)C1 ZINC001083477215 679540083 /nfs/dbraw/zinc/54/00/83/679540083.db2.gz GJUFWHYSIXAIOA-RDBSUJKOSA-N 1 2 350.423 -1.303 20 0 FAADLO CS(=O)(=O)CCN1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](O)C1 ZINC001083478057 679540540 /nfs/dbraw/zinc/54/05/40/679540540.db2.gz RPVFUFRRGQWANU-KGLIPLIRSA-N 1 2 370.475 -1.032 20 0 FAADLO CC(=O)N1CCN(C(=O)C[N@@H+]2C[C@@H](NC(=O)C3(C)CC3)[C@@H](O)C2)CC1 ZINC001083481404 679540568 /nfs/dbraw/zinc/54/05/68/679540568.db2.gz GMOLTPBNWMHNMW-KGLIPLIRSA-N 1 2 352.435 -1.362 20 0 FAADLO CC(=O)N1CCN(C(=O)C[N@H+]2C[C@@H](NC(=O)C3(C)CC3)[C@@H](O)C2)CC1 ZINC001083481404 679540567 /nfs/dbraw/zinc/54/05/67/679540567.db2.gz GMOLTPBNWMHNMW-KGLIPLIRSA-N 1 2 352.435 -1.362 20 0 FAADLO CC1(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC[C@@H](C(N)=O)C3)C[C@@H]2O)CC1 ZINC001083481433 679540578 /nfs/dbraw/zinc/54/05/78/679540578.db2.gz HLYUYAJZUKBHKT-UPJWGTAASA-N 1 2 352.435 -1.328 20 0 FAADLO CC1(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC[C@@H](C(N)=O)C3)C[C@@H]2O)CC1 ZINC001083481433 679540576 /nfs/dbraw/zinc/54/05/76/679540576.db2.gz HLYUYAJZUKBHKT-UPJWGTAASA-N 1 2 352.435 -1.328 20 0 FAADLO CC1(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC[C@H](C(N)=O)C3)C[C@@H]2O)CC1 ZINC001083481434 679540424 /nfs/dbraw/zinc/54/04/24/679540424.db2.gz HLYUYAJZUKBHKT-XQQFMLRXSA-N 1 2 352.435 -1.328 20 0 FAADLO CC1(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC[C@H](C(N)=O)C3)C[C@@H]2O)CC1 ZINC001083481434 679540418 /nfs/dbraw/zinc/54/04/18/679540418.db2.gz HLYUYAJZUKBHKT-XQQFMLRXSA-N 1 2 352.435 -1.328 20 0 FAADLO CC1(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC(C(N)=O)CC3)C[C@@H]2O)CC1 ZINC001083481476 679540537 /nfs/dbraw/zinc/54/05/37/679540537.db2.gz JJTCVRGTGNPMDE-OLZOCXBDSA-N 1 2 352.435 -1.328 20 0 FAADLO CC1(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC(C(N)=O)CC3)C[C@@H]2O)CC1 ZINC001083481476 679540535 /nfs/dbraw/zinc/54/05/35/679540535.db2.gz JJTCVRGTGNPMDE-OLZOCXBDSA-N 1 2 352.435 -1.328 20 0 FAADLO CCC(=O)N1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2O)C1 ZINC001083484014 679540406 /nfs/dbraw/zinc/54/04/06/679540406.db2.gz RHDXHTSFVVVSSC-MCIONIFRSA-N 1 2 354.451 -1.116 20 0 FAADLO CCC(=O)N1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2O)C1 ZINC001083484014 679540401 /nfs/dbraw/zinc/54/04/01/679540401.db2.gz RHDXHTSFVVVSSC-MCIONIFRSA-N 1 2 354.451 -1.116 20 0 FAADLO CCC(=O)N1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2O)C1 ZINC001083484015 679540337 /nfs/dbraw/zinc/54/03/37/679540337.db2.gz RHDXHTSFVVVSSC-MJBXVCDLSA-N 1 2 354.451 -1.116 20 0 FAADLO CCC(=O)N1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2O)C1 ZINC001083484015 679540332 /nfs/dbraw/zinc/54/03/32/679540332.db2.gz RHDXHTSFVVVSSC-MJBXVCDLSA-N 1 2 354.451 -1.116 20 0 FAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cc2nnn(C(C)(C)C)n2)[C@@H](O)C1 ZINC001083486019 679540553 /nfs/dbraw/zinc/54/05/53/679540553.db2.gz CPQVMFYSCIOTIW-MXWKQRLJSA-N 1 2 353.427 -1.604 20 0 FAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cc2nnn(C(C)(C)C)n2)[C@@H](O)C1 ZINC001083486019 679540552 /nfs/dbraw/zinc/54/05/52/679540552.db2.gz CPQVMFYSCIOTIW-MXWKQRLJSA-N 1 2 353.427 -1.604 20 0 FAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cc2nnn(C(C)(C)C)n2)[C@@H](O)C1 ZINC001083486020 679540460 /nfs/dbraw/zinc/54/04/60/679540460.db2.gz CPQVMFYSCIOTIW-VWYCJHECSA-N 1 2 353.427 -1.604 20 0 FAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cc2nnn(C(C)(C)C)n2)[C@@H](O)C1 ZINC001083486020 679540456 /nfs/dbraw/zinc/54/04/56/679540456.db2.gz CPQVMFYSCIOTIW-VWYCJHECSA-N 1 2 353.427 -1.604 20 0 FAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2nnn(C(C)(C)C)n2)[C@@H](O)C1 ZINC001083486095 679540497 /nfs/dbraw/zinc/54/04/97/679540497.db2.gz HGYYQRAAQBEGTJ-AXFHLTTASA-N 1 2 353.427 -1.734 20 0 FAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2nnn(C(C)(C)C)n2)[C@@H](O)C1 ZINC001083486095 679540495 /nfs/dbraw/zinc/54/04/95/679540495.db2.gz HGYYQRAAQBEGTJ-AXFHLTTASA-N 1 2 353.427 -1.734 20 0 FAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2nnn(C(C)(C)C)n2)[C@@H](O)C1 ZINC001083486096 679540436 /nfs/dbraw/zinc/54/04/36/679540436.db2.gz HGYYQRAAQBEGTJ-MXWKQRLJSA-N 1 2 353.427 -1.734 20 0 FAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2nnn(C(C)(C)C)n2)[C@@H](O)C1 ZINC001083486096 679540432 /nfs/dbraw/zinc/54/04/32/679540432.db2.gz HGYYQRAAQBEGTJ-MXWKQRLJSA-N 1 2 353.427 -1.734 20 0 FAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)Cc2nnn(C(C)(C)C)n2)[C@@H](O)C1 ZINC001083486342 679540382 /nfs/dbraw/zinc/54/03/82/679540382.db2.gz URNRLTLQOOEKTH-MNOVXSKESA-N 1 2 353.427 -1.780 20 0 FAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)Cc2nnn(C(C)(C)C)n2)[C@@H](O)C1 ZINC001083486342 679540377 /nfs/dbraw/zinc/54/03/77/679540377.db2.gz URNRLTLQOOEKTH-MNOVXSKESA-N 1 2 353.427 -1.780 20 0 FAADLO CC(C)(C)n1nnc(CC(=O)N[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]2O)n1 ZINC001083486433 679540547 /nfs/dbraw/zinc/54/05/47/679540547.db2.gz ZHUDJXXYUZFMEP-MXWKQRLJSA-N 1 2 351.411 -1.980 20 0 FAADLO CC(C)(C)n1nnc(CC(=O)N[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2O)n1 ZINC001083486433 679540546 /nfs/dbraw/zinc/54/05/46/679540546.db2.gz ZHUDJXXYUZFMEP-MXWKQRLJSA-N 1 2 351.411 -1.980 20 0 FAADLO CC(C)(C)n1nnc(CC(=O)N[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]2O)n1 ZINC001083486434 679540468 /nfs/dbraw/zinc/54/04/68/679540468.db2.gz ZHUDJXXYUZFMEP-VWYCJHECSA-N 1 2 351.411 -1.980 20 0 FAADLO CC(C)(C)n1nnc(CC(=O)N[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2O)n1 ZINC001083486434 679540467 /nfs/dbraw/zinc/54/04/67/679540467.db2.gz ZHUDJXXYUZFMEP-VWYCJHECSA-N 1 2 351.411 -1.980 20 0 FAADLO Cn1cc(Cl)c(C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@@H]2O)n1 ZINC001083486545 679540304 /nfs/dbraw/zinc/54/03/04/679540304.db2.gz DZUATKGHCRTERQ-MNOVXSKESA-N 1 2 369.809 -1.003 20 0 FAADLO Cn1cc(Cl)c(C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@@H]2O)n1 ZINC001083486545 679540300 /nfs/dbraw/zinc/54/03/00/679540300.db2.gz DZUATKGHCRTERQ-MNOVXSKESA-N 1 2 369.809 -1.003 20 0 FAADLO Cn1cc(Cl)c(C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@@H]2O)n1 ZINC001083486585 679540502 /nfs/dbraw/zinc/54/05/02/679540502.db2.gz GNHYTNYGLAXDEU-ZJUUUORDSA-N 1 2 370.797 -1.600 20 0 FAADLO Cn1cc(Cl)c(C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@@H]2O)n1 ZINC001083486585 679540500 /nfs/dbraw/zinc/54/05/00/679540500.db2.gz GNHYTNYGLAXDEU-ZJUUUORDSA-N 1 2 370.797 -1.600 20 0 FAADLO COc1cc[nH+]c(CN2C[C@@H](NC(=O)C3CS(=O)(=O)C3)[C@@H](O)C2)c1 ZINC001083486597 679540482 /nfs/dbraw/zinc/54/04/82/679540482.db2.gz GYBOYIACICSRCP-KGLIPLIRSA-N 1 2 355.416 -1.204 20 0 FAADLO O=C(N[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@@H]1O)C1CS(=O)(=O)C1 ZINC001083487327 679541474 /nfs/dbraw/zinc/54/14/74/679541474.db2.gz QFKNNELBSOIVNE-OAGGEKHMSA-N 1 2 368.455 -1.204 20 0 FAADLO O=C(N[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@@H]1O)C1CS(=O)(=O)C1 ZINC001083487327 679541471 /nfs/dbraw/zinc/54/14/71/679541471.db2.gz QFKNNELBSOIVNE-OAGGEKHMSA-N 1 2 368.455 -1.204 20 0 FAADLO O=C(N[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@@H]1O)C1CS(=O)(=O)C1 ZINC001083487328 679541213 /nfs/dbraw/zinc/54/12/13/679541213.db2.gz QFKNNELBSOIVNE-XHSDSOJGSA-N 1 2 368.455 -1.204 20 0 FAADLO O=C(N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@@H]1O)C1CS(=O)(=O)C1 ZINC001083487328 679541210 /nfs/dbraw/zinc/54/12/10/679541210.db2.gz QFKNNELBSOIVNE-XHSDSOJGSA-N 1 2 368.455 -1.204 20 0 FAADLO Cn1cc(Cl)c(C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2O)n1 ZINC001083487430 679541240 /nfs/dbraw/zinc/54/12/40/679541240.db2.gz UYPVYIZCAVZWTA-MNOVXSKESA-N 1 2 356.814 -1.126 20 0 FAADLO Cn1cc(Cl)c(C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]2O)n1 ZINC001083487430 679541237 /nfs/dbraw/zinc/54/12/37/679541237.db2.gz UYPVYIZCAVZWTA-MNOVXSKESA-N 1 2 356.814 -1.126 20 0 FAADLO O=C(N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O)c1ccnn1C(F)F ZINC001083490599 679541413 /nfs/dbraw/zinc/54/14/13/679541413.db2.gz NFIPPKDVHQDUQO-MRTMQBJTSA-N 1 2 357.317 -1.142 20 0 FAADLO O=C(N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O)c1ccnn1C(F)F ZINC001083490599 679541410 /nfs/dbraw/zinc/54/14/10/679541410.db2.gz NFIPPKDVHQDUQO-MRTMQBJTSA-N 1 2 357.317 -1.142 20 0 FAADLO O=C(N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O)c1ccnn1C(F)F ZINC001083490600 679541273 /nfs/dbraw/zinc/54/12/73/679541273.db2.gz NFIPPKDVHQDUQO-WEDXCCLWSA-N 1 2 357.317 -1.142 20 0 FAADLO O=C(N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O)c1ccnn1C(F)F ZINC001083490600 679541269 /nfs/dbraw/zinc/54/12/69/679541269.db2.gz NFIPPKDVHQDUQO-WEDXCCLWSA-N 1 2 357.317 -1.142 20 0 FAADLO C[C@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001083492024 679541496 /nfs/dbraw/zinc/54/14/96/679541496.db2.gz ICKFFPIFRBXTKY-BNOWGMLFSA-N 1 2 350.423 -1.113 20 0 FAADLO C[C@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001083492024 679541495 /nfs/dbraw/zinc/54/14/95/679541495.db2.gz ICKFFPIFRBXTKY-BNOWGMLFSA-N 1 2 350.423 -1.113 20 0 FAADLO C[C@@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001083492025 679541701 /nfs/dbraw/zinc/54/17/01/679541701.db2.gz ICKFFPIFRBXTKY-YUTCNCBUSA-N 1 2 350.423 -1.113 20 0 FAADLO C[C@@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001083492025 679541696 /nfs/dbraw/zinc/54/16/96/679541696.db2.gz ICKFFPIFRBXTKY-YUTCNCBUSA-N 1 2 350.423 -1.113 20 0 FAADLO C[C@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001083492167 679541672 /nfs/dbraw/zinc/54/16/72/679541672.db2.gz OIRZRKQUSFXKGM-MCIONIFRSA-N 1 2 350.423 -1.160 20 0 FAADLO C[C@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001083492167 679541668 /nfs/dbraw/zinc/54/16/68/679541668.db2.gz OIRZRKQUSFXKGM-MCIONIFRSA-N 1 2 350.423 -1.160 20 0 FAADLO C[C@@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001083492168 679541951 /nfs/dbraw/zinc/54/19/51/679541951.db2.gz OIRZRKQUSFXKGM-MJBXVCDLSA-N 1 2 350.423 -1.160 20 0 FAADLO C[C@@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001083492168 679541949 /nfs/dbraw/zinc/54/19/49/679541949.db2.gz OIRZRKQUSFXKGM-MJBXVCDLSA-N 1 2 350.423 -1.160 20 0 FAADLO O=C(Cn1nccn1)N[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@@H]1O ZINC001083492427 679541911 /nfs/dbraw/zinc/54/19/11/679541911.db2.gz BFLMPZGOIWGWMS-OLZOCXBDSA-N 1 2 357.436 -1.736 20 0 FAADLO O=C(Cn1nccn1)N[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@@H]1O ZINC001083492427 679541909 /nfs/dbraw/zinc/54/19/09/679541909.db2.gz BFLMPZGOIWGWMS-OLZOCXBDSA-N 1 2 357.436 -1.736 20 0 FAADLO O=C(Cn1nccn1)N[C@@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@@H]1O ZINC001083492451 679541834 /nfs/dbraw/zinc/54/18/34/679541834.db2.gz CMPVSNCWEHXZKW-UPJWGTAASA-N 1 2 357.436 -1.736 20 0 FAADLO O=C(Cn1nccn1)N[C@@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@@H]1O ZINC001083492451 679541832 /nfs/dbraw/zinc/54/18/32/679541832.db2.gz CMPVSNCWEHXZKW-UPJWGTAASA-N 1 2 357.436 -1.736 20 0 FAADLO O=C(Cn1nccn1)N[C@@H]1C[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1O ZINC001083492452 679541937 /nfs/dbraw/zinc/54/19/37/679541937.db2.gz CMPVSNCWEHXZKW-XQQFMLRXSA-N 1 2 357.436 -1.736 20 0 FAADLO O=C(Cn1nccn1)N[C@@H]1C[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1O ZINC001083492452 679541934 /nfs/dbraw/zinc/54/19/34/679541934.db2.gz CMPVSNCWEHXZKW-XQQFMLRXSA-N 1 2 357.436 -1.736 20 0 FAADLO Cc1csc(=O)n1CC[N@@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001083492628 679541921 /nfs/dbraw/zinc/54/19/21/679541921.db2.gz LKCOYOYHFUQSKL-NEPJUHHUSA-N 1 2 352.420 -1.329 20 0 FAADLO Cc1csc(=O)n1CC[N@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001083492628 679541919 /nfs/dbraw/zinc/54/19/19/679541919.db2.gz LKCOYOYHFUQSKL-NEPJUHHUSA-N 1 2 352.420 -1.329 20 0 FAADLO C[C@@H]1CCCN(C(=O)C[N@@H+]2C[C@@H](NC(=O)Cn3nccn3)[C@@H](O)C2)C1 ZINC001083492632 679541799 /nfs/dbraw/zinc/54/17/99/679541799.db2.gz LNAGJQPSPCLJJS-MCIONIFRSA-N 1 2 350.423 -1.302 20 0 FAADLO C[C@@H]1CCCN(C(=O)C[N@H+]2C[C@@H](NC(=O)Cn3nccn3)[C@@H](O)C2)C1 ZINC001083492632 679541795 /nfs/dbraw/zinc/54/17/95/679541795.db2.gz LNAGJQPSPCLJJS-MCIONIFRSA-N 1 2 350.423 -1.302 20 0 FAADLO C[C@H]1CCCN(C(=O)C[N@@H+]2C[C@@H](NC(=O)Cn3nccn3)[C@@H](O)C2)C1 ZINC001083492633 679541889 /nfs/dbraw/zinc/54/18/89/679541889.db2.gz LNAGJQPSPCLJJS-MJBXVCDLSA-N 1 2 350.423 -1.302 20 0 FAADLO 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/nfs/dbraw/zinc/62/95/87/679629587.db2.gz KWEXTHGBIWGSCT-ZOBORPQBSA-N 1 2 352.391 -1.014 20 0 FAADLO Cc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](O)C1 ZINC001083775143 679629582 /nfs/dbraw/zinc/62/95/82/679629582.db2.gz KWEXTHGBIWGSCT-ZOBORPQBSA-N 1 2 352.391 -1.014 20 0 FAADLO Cc1csc(=O)n1CC[N@@H+]1C[C@@H](NC(=O)[C@]2(C)CCNC2=O)[C@@H](O)C1 ZINC001083775158 679629513 /nfs/dbraw/zinc/62/95/13/679629513.db2.gz LTWHLHAQKBLPDR-BFQNTYOBSA-N 1 2 368.459 -1.094 20 0 FAADLO Cc1csc(=O)n1CC[N@H+]1C[C@@H](NC(=O)[C@]2(C)CCNC2=O)[C@@H](O)C1 ZINC001083775158 679629509 /nfs/dbraw/zinc/62/95/09/679629509.db2.gz LTWHLHAQKBLPDR-BFQNTYOBSA-N 1 2 368.459 -1.094 20 0 FAADLO Cc1csc(=O)n1CC[N@@H+]1C[C@@H](NC(=O)[C@@]2(C)CCNC2=O)[C@@H](O)C1 ZINC001083775159 679629652 /nfs/dbraw/zinc/62/96/52/679629652.db2.gz LTWHLHAQKBLPDR-WQGACYEGSA-N 1 2 368.459 -1.094 20 0 FAADLO Cc1csc(=O)n1CC[N@H+]1C[C@@H](NC(=O)[C@@]2(C)CCNC2=O)[C@@H](O)C1 ZINC001083775159 679629649 /nfs/dbraw/zinc/62/96/49/679629649.db2.gz LTWHLHAQKBLPDR-WQGACYEGSA-N 1 2 368.459 -1.094 20 0 FAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@@H]2O)O1 ZINC001083775329 679629670 /nfs/dbraw/zinc/62/96/70/679629670.db2.gz QJVYJJOBFRHLDS-MROQNXINSA-N 1 2 354.407 -2.197 20 0 FAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCC3)C[C@@H]2O)O1 ZINC001083775329 679629665 /nfs/dbraw/zinc/62/96/65/679629665.db2.gz QJVYJJOBFRHLDS-MROQNXINSA-N 1 2 354.407 -2.197 20 0 FAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@@H]2O)O1 ZINC001083775649 679630292 /nfs/dbraw/zinc/63/02/92/679630292.db2.gz BXWKAXUJNIQXMF-MROQNXINSA-N 1 2 371.825 -1.269 20 0 FAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@@H]2O)O1 ZINC001083775649 679630288 /nfs/dbraw/zinc/63/02/88/679630288.db2.gz BXWKAXUJNIQXMF-MROQNXINSA-N 1 2 371.825 -1.269 20 0 FAADLO CCc1nocc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](O)C1 ZINC001083775673 679629985 /nfs/dbraw/zinc/62/99/85/679629985.db2.gz CZQLFKDQWOGOBV-ZOBORPQBSA-N 1 2 352.391 -1.069 20 0 FAADLO CCc1nocc1C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](O)C1 ZINC001083775673 679629983 /nfs/dbraw/zinc/62/99/83/679629983.db2.gz CZQLFKDQWOGOBV-ZOBORPQBSA-N 1 2 352.391 -1.069 20 0 FAADLO Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H](O)C2)o1 ZINC001083775801 679630165 /nfs/dbraw/zinc/63/01/65/679630165.db2.gz IZXGENRQVOVBCH-MROQNXINSA-N 1 2 352.391 -1.014 20 0 FAADLO Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H](O)C2)o1 ZINC001083775801 679630160 /nfs/dbraw/zinc/63/01/60/679630160.db2.gz IZXGENRQVOVBCH-MROQNXINSA-N 1 2 352.391 -1.014 20 0 FAADLO Cc1nn(C)cc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](O)C1 ZINC001083775945 679630378 /nfs/dbraw/zinc/63/03/78/679630378.db2.gz RBZDGZAKLQLEIL-ZOBORPQBSA-N 1 2 351.407 -1.577 20 0 FAADLO Cc1nn(C)cc1C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](O)C1 ZINC001083775945 679630374 /nfs/dbraw/zinc/63/03/74/679630374.db2.gz RBZDGZAKLQLEIL-ZOBORPQBSA-N 1 2 351.407 -1.577 20 0 FAADLO Cn1cc(CC(=O)N[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2O)c(Cl)n1 ZINC001083777723 679894953 /nfs/dbraw/zinc/89/49/53/679894953.db2.gz JFHCNCYZHGFOJT-MXWKQRLJSA-N 1 2 369.809 -1.418 20 0 FAADLO Cn1cc(CC(=O)N[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2O)c(Cl)n1 ZINC001083777723 679894950 /nfs/dbraw/zinc/89/49/50/679894950.db2.gz JFHCNCYZHGFOJT-MXWKQRLJSA-N 1 2 369.809 -1.418 20 0 FAADLO Cn1cc(CC(=O)N[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]2O)c(Cl)n1 ZINC001083777724 679895108 /nfs/dbraw/zinc/89/51/08/679895108.db2.gz JFHCNCYZHGFOJT-VWYCJHECSA-N 1 2 369.809 -1.418 20 0 FAADLO Cn1cc(CC(=O)N[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]2O)c(Cl)n1 ZINC001083777724 679895107 /nfs/dbraw/zinc/89/51/07/679895107.db2.gz JFHCNCYZHGFOJT-VWYCJHECSA-N 1 2 369.809 -1.418 20 0 FAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)[C@@H](O)C1 ZINC001083780645 679895007 /nfs/dbraw/zinc/89/50/07/679895007.db2.gz FOHQJHZFHKECRD-FOGDFJRCSA-N 1 2 351.407 -1.828 20 0 FAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)[C@@H](O)C1 ZINC001083780645 679895004 /nfs/dbraw/zinc/89/50/04/679895004.db2.gz FOHQJHZFHKECRD-FOGDFJRCSA-N 1 2 351.407 -1.828 20 0 FAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)[C@@H](O)C1 ZINC001083780646 679895137 /nfs/dbraw/zinc/89/51/37/679895137.db2.gz FOHQJHZFHKECRD-UMNHJUIQSA-N 1 2 351.407 -1.828 20 0 FAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)[C@@H](O)C1 ZINC001083780646 679895135 /nfs/dbraw/zinc/89/51/35/679895135.db2.gz FOHQJHZFHKECRD-UMNHJUIQSA-N 1 2 351.407 -1.828 20 0 FAADLO Cc1csc(=O)n1CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](O)C1 ZINC001083783262 679895595 /nfs/dbraw/zinc/89/55/95/679895595.db2.gz IPGODMPXVZUBIE-KXNHARMFSA-N 1 2 354.432 -1.499 20 0 FAADLO Cc1csc(=O)n1CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](O)C1 ZINC001083783262 679895593 /nfs/dbraw/zinc/89/55/93/679895593.db2.gz IPGODMPXVZUBIE-KXNHARMFSA-N 1 2 354.432 -1.499 20 0 FAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@@H]2O)C1 ZINC001083783758 679895510 /nfs/dbraw/zinc/89/55/10/679895510.db2.gz JKOOUSXHDCZQGK-RQJABVFESA-N 1 2 352.435 -1.328 20 0 FAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCC3)C[C@@H]2O)C1 ZINC001083783758 679895509 /nfs/dbraw/zinc/89/55/09/679895509.db2.gz JKOOUSXHDCZQGK-RQJABVFESA-N 1 2 352.435 -1.328 20 0 FAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@@H]1O ZINC001083784325 679896759 /nfs/dbraw/zinc/89/67/59/679896759.db2.gz OUGOIMXQRPLCDN-XQHKEYJVSA-N 1 2 359.448 -1.906 20 0 FAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@@H]1O ZINC001083784325 679896756 /nfs/dbraw/zinc/89/67/56/679896756.db2.gz OUGOIMXQRPLCDN-XQHKEYJVSA-N 1 2 359.448 -1.906 20 0 FAADLO CN(C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)[C@@H](O)C1)C1CC1 ZINC001083784419 679896615 /nfs/dbraw/zinc/89/66/15/679896615.db2.gz UAFHKWFFCRNZJZ-WVWOOGAGSA-N 1 2 352.435 -1.330 20 0 FAADLO CN(C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)[C@@H](O)C1)C1CC1 ZINC001083784419 679896614 /nfs/dbraw/zinc/89/66/14/679896614.db2.gz UAFHKWFFCRNZJZ-WVWOOGAGSA-N 1 2 352.435 -1.330 20 0 FAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001083784444 679896588 /nfs/dbraw/zinc/89/65/88/679896588.db2.gz VPXKZKAVTYOBPM-KXNHARMFSA-N 1 2 360.436 -2.695 20 0 FAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001083784444 679896585 /nfs/dbraw/zinc/89/65/85/679896585.db2.gz VPXKZKAVTYOBPM-KXNHARMFSA-N 1 2 360.436 -2.695 20 0 FAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@@H]1O ZINC001083784448 679896743 /nfs/dbraw/zinc/89/67/43/679896743.db2.gz VRMVEKNLTKGENW-RQJABVFESA-N 1 2 352.435 -1.328 20 0 FAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@@H]1O ZINC001083784448 679896740 /nfs/dbraw/zinc/89/67/40/679896740.db2.gz VRMVEKNLTKGENW-RQJABVFESA-N 1 2 352.435 -1.328 20 0 FAADLO CC1CCN(C(=O)C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](O)C2)CC1 ZINC001083784501 679896602 /nfs/dbraw/zinc/89/66/02/679896602.db2.gz YUFAGBSOQXHCIM-RQJABVFESA-N 1 2 352.435 -1.472 20 0 FAADLO CC1CCN(C(=O)C[N@H+]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](O)C2)CC1 ZINC001083784501 679896600 /nfs/dbraw/zinc/89/66/00/679896600.db2.gz YUFAGBSOQXHCIM-RQJABVFESA-N 1 2 352.435 -1.472 20 0 FAADLO NC(=O)c1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@@H]2O)[nH]1 ZINC001083784692 679897927 /nfs/dbraw/zinc/89/79/27/679897927.db2.gz JSRNTDBIPWGXHV-BIMULSAOSA-N 1 2 370.431 -1.677 20 0 FAADLO NC(=O)c1ccc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@@H]2O)[nH]1 ZINC001083784692 679897924 /nfs/dbraw/zinc/89/79/24/679897924.db2.gz JSRNTDBIPWGXHV-BIMULSAOSA-N 1 2 370.431 -1.677 20 0 FAADLO NC(=O)c1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@@H]2O)[nH]1 ZINC001083784693 679898412 /nfs/dbraw/zinc/89/84/12/679898412.db2.gz JSRNTDBIPWGXHV-WQAKAFBOSA-N 1 2 370.431 -1.677 20 0 FAADLO NC(=O)c1ccc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@@H]2O)[nH]1 ZINC001083784693 679898409 /nfs/dbraw/zinc/89/84/09/679898409.db2.gz JSRNTDBIPWGXHV-WQAKAFBOSA-N 1 2 370.431 -1.677 20 0 FAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@@H]1O ZINC001083784883 679898555 /nfs/dbraw/zinc/89/85/55/679898555.db2.gz SBVCTBIIEOMCNN-DGAVXFQQSA-N 1 2 352.435 -1.507 20 0 FAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@@H]1O ZINC001083784883 679898553 /nfs/dbraw/zinc/89/85/53/679898553.db2.gz SBVCTBIIEOMCNN-DGAVXFQQSA-N 1 2 352.435 -1.507 20 0 FAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001083784884 679898570 /nfs/dbraw/zinc/89/85/70/679898570.db2.gz SGNGBVKBSPXIKQ-DGAVXFQQSA-N 1 2 352.435 -1.506 20 0 FAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001083784884 679898567 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CC(=O)N1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@@H]2O)C1 ZINC001084003519 790592978 /nfs/dbraw/zinc/59/29/78/790592978.db2.gz FJLLMXYHIZIAEL-CFVMTHIKSA-N 1 2 352.435 -1.363 20 0 FAADLO CC(=O)N1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@@H]2O)C1 ZINC001084003519 790592972 /nfs/dbraw/zinc/59/29/72/790592972.db2.gz FJLLMXYHIZIAEL-CFVMTHIKSA-N 1 2 352.435 -1.363 20 0 FAADLO CC(=O)N1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@@H]2O)C1 ZINC001084003520 790593154 /nfs/dbraw/zinc/59/31/54/790593154.db2.gz FJLLMXYHIZIAEL-YUELXQCFSA-N 1 2 352.435 -1.363 20 0 FAADLO CC(=O)N1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@@H]2O)C1 ZINC001084003520 790593145 /nfs/dbraw/zinc/59/31/45/790593145.db2.gz FJLLMXYHIZIAEL-YUELXQCFSA-N 1 2 352.435 -1.363 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]2O)cn1 ZINC001084004597 790594308 /nfs/dbraw/zinc/59/43/08/790594308.db2.gz TXYWKZNWRYVUCQ-MCIONIFRSA-N 1 2 351.407 -1.417 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2O)cn1 ZINC001084004597 790594297 /nfs/dbraw/zinc/59/42/97/790594297.db2.gz TXYWKZNWRYVUCQ-MCIONIFRSA-N 1 2 351.407 -1.417 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]2O)cn1 ZINC001084004598 790594044 /nfs/dbraw/zinc/59/40/44/790594044.db2.gz TXYWKZNWRYVUCQ-RDBSUJKOSA-N 1 2 351.407 -1.417 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2O)cn1 ZINC001084004598 790594031 /nfs/dbraw/zinc/59/40/31/790594031.db2.gz TXYWKZNWRYVUCQ-RDBSUJKOSA-N 1 2 351.407 -1.417 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)N(C)C)C[C@@H]2O)cn1 ZINC001084005043 790594487 /nfs/dbraw/zinc/59/44/87/790594487.db2.gz FVVCGMIZEZFIGR-BNOWGMLFSA-N 1 2 353.423 -1.219 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@@H]2O)cn1 ZINC001084005043 790594478 /nfs/dbraw/zinc/59/44/78/790594478.db2.gz FVVCGMIZEZFIGR-BNOWGMLFSA-N 1 2 353.423 -1.219 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]2O)cn1 ZINC001084005044 790594524 /nfs/dbraw/zinc/59/45/24/790594524.db2.gz FVVCGMIZEZFIGR-YUTCNCBUSA-N 1 2 353.423 -1.219 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]2O)cn1 ZINC001084005044 790594514 /nfs/dbraw/zinc/59/45/14/790594514.db2.gz FVVCGMIZEZFIGR-YUTCNCBUSA-N 1 2 353.423 -1.219 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2O)cn1 ZINC001084005045 790593681 /nfs/dbraw/zinc/59/36/81/790593681.db2.gz GAKNOOPZMIUTBY-MCIONIFRSA-N 1 2 351.407 -1.465 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2O)cn1 ZINC001084005045 790593675 /nfs/dbraw/zinc/59/36/75/790593675.db2.gz GAKNOOPZMIUTBY-MCIONIFRSA-N 1 2 351.407 -1.465 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@@H]2O)cn1 ZINC001084005046 790593860 /nfs/dbraw/zinc/59/38/60/790593860.db2.gz GAKNOOPZMIUTBY-RDBSUJKOSA-N 1 2 351.407 -1.465 20 0 FAADLO COCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@@H]2O)cn1 ZINC001084005046 790593853 /nfs/dbraw/zinc/59/38/53/790593853.db2.gz GAKNOOPZMIUTBY-RDBSUJKOSA-N 1 2 351.407 -1.465 20 0 FAADLO Cc1nn(C)c(F)c1C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001084005876 790594456 /nfs/dbraw/zinc/59/44/56/790594456.db2.gz LWBMLCJGSLOAEK-MNOVXSKESA-N 1 2 354.386 -1.332 20 0 FAADLO Cc1nn(C)c(F)c1C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001084005876 790594446 /nfs/dbraw/zinc/59/44/46/790594446.db2.gz LWBMLCJGSLOAEK-MNOVXSKESA-N 1 2 354.386 -1.332 20 0 FAADLO CCc1nc[nH]c1C(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001084007676 790594693 /nfs/dbraw/zinc/59/46/93/790594693.db2.gz BKKZRLVEGAFQFV-OLZOCXBDSA-N 1 2 371.463 -1.218 20 0 FAADLO CCc1nc[nH]c1C(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001084007676 790594682 /nfs/dbraw/zinc/59/46/82/790594682.db2.gz BKKZRLVEGAFQFV-OLZOCXBDSA-N 1 2 371.463 -1.218 20 0 FAADLO CN(C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC(=O)N2C)[C@@H](O)C1)C1CC1 ZINC001084009323 790594267 /nfs/dbraw/zinc/59/42/67/790594267.db2.gz JZIKZNFPFMSTGH-MCIONIFRSA-N 1 2 352.435 -1.221 20 0 FAADLO CN(C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC(=O)N2C)[C@@H](O)C1)C1CC1 ZINC001084009323 790594257 /nfs/dbraw/zinc/59/42/57/790594257.db2.gz JZIKZNFPFMSTGH-MCIONIFRSA-N 1 2 352.435 -1.221 20 0 FAADLO CN(C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC(=O)N2C)[C@@H](O)C1)C1CC1 ZINC001084009324 790594385 /nfs/dbraw/zinc/59/43/85/790594385.db2.gz JZIKZNFPFMSTGH-RDBSUJKOSA-N 1 2 352.435 -1.221 20 0 FAADLO CN(C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC(=O)N2C)[C@@H](O)C1)C1CC1 ZINC001084009324 790594376 /nfs/dbraw/zinc/59/43/76/790594376.db2.gz JZIKZNFPFMSTGH-RDBSUJKOSA-N 1 2 352.435 -1.221 20 0 FAADLO CN1C(=O)CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001084009500 790594630 /nfs/dbraw/zinc/59/46/30/790594630.db2.gz QHOJSQBDTJNSFU-MCIONIFRSA-N 1 2 352.435 -1.219 20 0 FAADLO CN1C(=O)CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001084009500 790594624 /nfs/dbraw/zinc/59/46/24/790594624.db2.gz QHOJSQBDTJNSFU-MCIONIFRSA-N 1 2 352.435 -1.219 20 0 FAADLO CN1C(=O)CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001084009501 790594001 /nfs/dbraw/zinc/59/40/01/790594001.db2.gz QHOJSQBDTJNSFU-RDBSUJKOSA-N 1 2 352.435 -1.219 20 0 FAADLO CN1C(=O)CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001084009501 790593984 /nfs/dbraw/zinc/59/39/84/790593984.db2.gz QHOJSQBDTJNSFU-RDBSUJKOSA-N 1 2 352.435 -1.219 20 0 FAADLO CC(=O)N1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cnc(C)o3)C[C@@H]2O)C1 ZINC001084011971 790595537 /nfs/dbraw/zinc/59/55/37/790595537.db2.gz AZXWBBGTOOXQQK-ILXRZTDVSA-N 1 2 352.391 -1.108 20 0 FAADLO CC(=O)N1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cnc(C)o3)C[C@@H]2O)C1 ZINC001084011971 790595525 /nfs/dbraw/zinc/59/55/25/790595525.db2.gz AZXWBBGTOOXQQK-ILXRZTDVSA-N 1 2 352.391 -1.108 20 0 FAADLO CC(=O)N1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cnc(C)o3)C[C@@H]2O)C1 ZINC001084011972 790595863 /nfs/dbraw/zinc/59/58/63/790595863.db2.gz AZXWBBGTOOXQQK-QLFBSQMISA-N 1 2 352.391 -1.108 20 0 FAADLO CC(=O)N1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cnc(C)o3)C[C@@H]2O)C1 ZINC001084011972 790595853 /nfs/dbraw/zinc/59/58/53/790595853.db2.gz AZXWBBGTOOXQQK-QLFBSQMISA-N 1 2 352.391 -1.108 20 0 FAADLO Cc1nn(CC(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)c(=O)n1C ZINC001084012022 790595728 /nfs/dbraw/zinc/59/57/28/790595728.db2.gz DMXZKYOPZBCNOU-NEPJUHHUSA-N 1 2 352.395 -2.716 20 0 FAADLO Cc1nn(CC(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2O)c(=O)n1C ZINC001084012022 790595716 /nfs/dbraw/zinc/59/57/16/790595716.db2.gz DMXZKYOPZBCNOU-NEPJUHHUSA-N 1 2 352.395 -2.716 20 0 FAADLO Cc1oncc1C[N@@H+]1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@@H](O)C1 ZINC001084012044 790595901 /nfs/dbraw/zinc/59/59/01/790595901.db2.gz FMDGRBJPLDNRNG-OLZOCXBDSA-N 1 2 350.379 -1.452 20 0 FAADLO Cc1oncc1C[N@H+]1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@@H](O)C1 ZINC001084012044 790595892 /nfs/dbraw/zinc/59/58/92/790595892.db2.gz FMDGRBJPLDNRNG-OLZOCXBDSA-N 1 2 350.379 -1.452 20 0 FAADLO Cc1cc(C[N@@H+]2C[C@@H](NC(=O)Cn3nc(C)n(C)c3=O)[C@@H](O)C2)on1 ZINC001084012089 790595154 /nfs/dbraw/zinc/59/51/54/790595154.db2.gz FVLQREQYOIPKHX-OLZOCXBDSA-N 1 2 350.379 -1.452 20 0 FAADLO Cc1cc(C[N@H+]2C[C@@H](NC(=O)Cn3nc(C)n(C)c3=O)[C@@H](O)C2)on1 ZINC001084012089 790595141 /nfs/dbraw/zinc/59/51/41/790595141.db2.gz FVLQREQYOIPKHX-OLZOCXBDSA-N 1 2 350.379 -1.452 20 0 FAADLO CC(=O)N1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3conc3C)C[C@@H]2O)C1 ZINC001084012158 790595685 /nfs/dbraw/zinc/59/56/85/790595685.db2.gz HRLFUEBLMQXCET-ILXRZTDVSA-N 1 2 352.391 -1.108 20 0 FAADLO CC(=O)N1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3conc3C)C[C@@H]2O)C1 ZINC001084012158 790595676 /nfs/dbraw/zinc/59/56/76/790595676.db2.gz HRLFUEBLMQXCET-ILXRZTDVSA-N 1 2 352.391 -1.108 20 0 FAADLO CC(=O)N1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3conc3C)C[C@@H]2O)C1 ZINC001084012159 790595567 /nfs/dbraw/zinc/59/55/67/790595567.db2.gz HRLFUEBLMQXCET-QLFBSQMISA-N 1 2 352.391 -1.108 20 0 FAADLO CC(=O)N1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3conc3C)C[C@@H]2O)C1 ZINC001084012159 790595556 /nfs/dbraw/zinc/59/55/56/790595556.db2.gz HRLFUEBLMQXCET-QLFBSQMISA-N 1 2 352.391 -1.108 20 0 FAADLO Cc1nn(CC(=O)N[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]2O)c(=O)n1C ZINC001084012165 790595198 /nfs/dbraw/zinc/59/51/98/790595198.db2.gz HXGOVGGPEMYUFV-UTUOFQBUSA-N 1 2 352.395 -2.670 20 0 FAADLO Cc1nn(CC(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2O)c(=O)n1C ZINC001084012165 790595190 /nfs/dbraw/zinc/59/51/90/790595190.db2.gz HXGOVGGPEMYUFV-UTUOFQBUSA-N 1 2 352.395 -2.670 20 0 FAADLO Cc1nn(CC(=O)N[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]2O)c(=O)n1C ZINC001084012166 790595464 /nfs/dbraw/zinc/59/54/64/790595464.db2.gz HXGOVGGPEMYUFV-WOPDTQHZSA-N 1 2 352.395 -2.670 20 0 FAADLO Cc1nn(CC(=O)N[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2O)c(=O)n1C ZINC001084012166 790595449 /nfs/dbraw/zinc/59/54/49/790595449.db2.gz HXGOVGGPEMYUFV-WOPDTQHZSA-N 1 2 352.395 -2.670 20 0 FAADLO Cc1nocc1C[N@@H+]1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@@H](O)C1 ZINC001084012196 790595327 /nfs/dbraw/zinc/59/53/27/790595327.db2.gz IWKPCHORSVXGRQ-OLZOCXBDSA-N 1 2 350.379 -1.452 20 0 FAADLO Cc1nocc1C[N@H+]1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@@H](O)C1 ZINC001084012196 790595314 /nfs/dbraw/zinc/59/53/14/790595314.db2.gz IWKPCHORSVXGRQ-OLZOCXBDSA-N 1 2 350.379 -1.452 20 0 FAADLO CC(=O)N1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cnn(C)c3)C[C@@H]2O)C1 ZINC001084012208 790596012 /nfs/dbraw/zinc/59/60/12/790596012.db2.gz JFMDPUNSDWOUID-ILXRZTDVSA-N 1 2 351.407 -1.671 20 0 FAADLO CC(=O)N1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cnn(C)c3)C[C@@H]2O)C1 ZINC001084012208 790596003 /nfs/dbraw/zinc/59/60/03/790596003.db2.gz JFMDPUNSDWOUID-ILXRZTDVSA-N 1 2 351.407 -1.671 20 0 FAADLO CC(=O)N1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cnn(C)c3)C[C@@H]2O)C1 ZINC001084012209 790595966 /nfs/dbraw/zinc/59/59/66/790595966.db2.gz JFMDPUNSDWOUID-QLFBSQMISA-N 1 2 351.407 -1.671 20 0 FAADLO CC(=O)N1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cnn(C)c3)C[C@@H]2O)C1 ZINC001084012209 790595962 /nfs/dbraw/zinc/59/59/62/790595962.db2.gz JFMDPUNSDWOUID-QLFBSQMISA-N 1 2 351.407 -1.671 20 0 FAADLO CC(=O)N1CCO[C@H](C(=O)N[C@@H]2CN(Cc3c[nH+]cn3C)C[C@@H]2O)C1 ZINC001084012486 790596971 /nfs/dbraw/zinc/59/69/71/790596971.db2.gz REANRPUSEUXOOT-ILXRZTDVSA-N 1 2 351.407 -1.671 20 0 FAADLO CC(=O)N1CCO[C@@H](C(=O)N[C@@H]2CN(Cc3c[nH+]cn3C)C[C@@H]2O)C1 ZINC001084012487 790596478 /nfs/dbraw/zinc/59/64/78/790596478.db2.gz REANRPUSEUXOOT-QLFBSQMISA-N 1 2 351.407 -1.671 20 0 FAADLO Cc1nn(CC(=O)N[C@@H]2C[N@@H+](Cc3cncs3)C[C@@H]2O)c(=O)n1C ZINC001084012513 790596506 /nfs/dbraw/zinc/59/65/06/790596506.db2.gz SBHWKIZDQIFVGB-NEPJUHHUSA-N 1 2 352.420 -1.292 20 0 FAADLO Cc1nn(CC(=O)N[C@@H]2C[N@H+](Cc3cncs3)C[C@@H]2O)c(=O)n1C ZINC001084012513 790596499 /nfs/dbraw/zinc/59/64/99/790596499.db2.gz SBHWKIZDQIFVGB-NEPJUHHUSA-N 1 2 352.420 -1.292 20 0 FAADLO CC(=O)N1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cnoc3C)C[C@@H]2O)C1 ZINC001084012582 790597934 /nfs/dbraw/zinc/59/79/34/790597934.db2.gz VNLCQDGDTDETCQ-ILXRZTDVSA-N 1 2 352.391 -1.108 20 0 FAADLO CC(=O)N1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cnoc3C)C[C@@H]2O)C1 ZINC001084012582 790597924 /nfs/dbraw/zinc/59/79/24/790597924.db2.gz VNLCQDGDTDETCQ-ILXRZTDVSA-N 1 2 352.391 -1.108 20 0 FAADLO CC(=O)N1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cnoc3C)C[C@@H]2O)C1 ZINC001084012583 790597647 /nfs/dbraw/zinc/59/76/47/790597647.db2.gz VNLCQDGDTDETCQ-QLFBSQMISA-N 1 2 352.391 -1.108 20 0 FAADLO CC(=O)N1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cnoc3C)C[C@@H]2O)C1 ZINC001084012583 790597639 /nfs/dbraw/zinc/59/76/39/790597639.db2.gz VNLCQDGDTDETCQ-QLFBSQMISA-N 1 2 352.391 -1.108 20 0 FAADLO Cc1nn(CC(=O)N[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@H]2O)c(=O)n1C ZINC001084012586 790597707 /nfs/dbraw/zinc/59/77/07/790597707.db2.gz VUUGCFVAZBHJFI-NEPJUHHUSA-N 1 2 352.395 -2.670 20 0 FAADLO Cc1nn(CC(=O)N[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@@H]2O)c(=O)n1C ZINC001084012586 790597702 /nfs/dbraw/zinc/59/77/02/790597702.db2.gz VUUGCFVAZBHJFI-NEPJUHHUSA-N 1 2 352.395 -2.670 20 0 FAADLO CC(=O)N1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ocnc3C)C[C@@H]2O)C1 ZINC001084012630 790597743 /nfs/dbraw/zinc/59/77/43/790597743.db2.gz XUQXUVYXWQTTLI-IPYPFGDCSA-N 1 2 352.391 -1.108 20 0 FAADLO CC(=O)N1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ocnc3C)C[C@@H]2O)C1 ZINC001084012630 790597734 /nfs/dbraw/zinc/59/77/34/790597734.db2.gz XUQXUVYXWQTTLI-IPYPFGDCSA-N 1 2 352.391 -1.108 20 0 FAADLO CC(=O)N1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ocnc3C)C[C@@H]2O)C1 ZINC001084012631 790597607 /nfs/dbraw/zinc/59/76/07/790597607.db2.gz XUQXUVYXWQTTLI-VNHYZAJKSA-N 1 2 352.391 -1.108 20 0 FAADLO CC(=O)N1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ocnc3C)C[C@@H]2O)C1 ZINC001084012631 790597596 /nfs/dbraw/zinc/59/75/96/790597596.db2.gz XUQXUVYXWQTTLI-VNHYZAJKSA-N 1 2 352.391 -1.108 20 0 FAADLO Cc1nn(CC(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@@H]2O)c(=O)n1C ZINC001084012875 790598281 /nfs/dbraw/zinc/59/82/81/790598281.db2.gz AVATVDOPJKQHDA-JLLWLGSASA-N 1 2 354.411 -2.472 20 0 FAADLO Cc1nn(CC(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)N(C)C)C[C@@H]2O)c(=O)n1C ZINC001084012875 790598272 /nfs/dbraw/zinc/59/82/72/790598272.db2.gz AVATVDOPJKQHDA-JLLWLGSASA-N 1 2 354.411 -2.472 20 0 FAADLO Cc1nn(CC(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]2O)c(=O)n1C ZINC001084012876 790598254 /nfs/dbraw/zinc/59/82/54/790598254.db2.gz AVATVDOPJKQHDA-WCQGTBRESA-N 1 2 354.411 -2.472 20 0 FAADLO Cc1nn(CC(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]2O)c(=O)n1C ZINC001084012876 790598244 /nfs/dbraw/zinc/59/82/44/790598244.db2.gz AVATVDOPJKQHDA-WCQGTBRESA-N 1 2 354.411 -2.472 20 0 FAADLO 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CC1(C)NC(=O)N(CC(=O)N[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2O)C1=O ZINC001084024020 790583910 /nfs/dbraw/zinc/58/39/10/790583910.db2.gz NIVGQJJTAKAUAA-UTLUCORTSA-N 1 2 353.379 -2.633 20 0 FAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@@H](O)C1 ZINC001084024243 790584003 /nfs/dbraw/zinc/58/40/03/790584003.db2.gz YRGDQVQTYWRMKV-AEJSXWLSSA-N 1 2 355.395 -2.387 20 0 FAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@@H](O)C1 ZINC001084024243 790583996 /nfs/dbraw/zinc/58/39/96/790583996.db2.gz YRGDQVQTYWRMKV-AEJSXWLSSA-N 1 2 355.395 -2.387 20 0 FAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@@H](O)C1 ZINC001084024244 790583438 /nfs/dbraw/zinc/58/34/38/790583438.db2.gz YRGDQVQTYWRMKV-BBBLOLIVSA-N 1 2 355.395 -2.387 20 0 FAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@@H](O)C1 ZINC001084024244 790583430 /nfs/dbraw/zinc/58/34/30/790583430.db2.gz YRGDQVQTYWRMKV-BBBLOLIVSA-N 1 2 355.395 -2.387 20 0 FAADLO 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C[C@@H]1CCCN(C(=O)C[N@H+]2C[C@@H](NC(=O)Cn3cncn3)[C@@H](O)C2)C1 ZINC001084032435 790584194 /nfs/dbraw/zinc/58/41/94/790584194.db2.gz KRMGLFFQJLFJQP-MCIONIFRSA-N 1 2 350.423 -1.302 20 0 FAADLO C[C@H]1CCCN(C(=O)C[N@@H+]2C[C@@H](NC(=O)Cn3cncn3)[C@@H](O)C2)C1 ZINC001084032437 790584079 /nfs/dbraw/zinc/58/40/79/790584079.db2.gz KRMGLFFQJLFJQP-MJBXVCDLSA-N 1 2 350.423 -1.302 20 0 FAADLO C[C@H]1CCCN(C(=O)C[N@H+]2C[C@@H](NC(=O)Cn3cncn3)[C@@H](O)C2)C1 ZINC001084032437 790584072 /nfs/dbraw/zinc/58/40/72/790584072.db2.gz KRMGLFFQJLFJQP-MJBXVCDLSA-N 1 2 350.423 -1.302 20 0 FAADLO CC1CCN(C(=O)C[N@@H+]2C[C@@H](NC(=O)Cn3cncn3)[C@@H](O)C2)CC1 ZINC001084032477 790583844 /nfs/dbraw/zinc/58/38/44/790583844.db2.gz LIDWSZCJBZXRNB-KGLIPLIRSA-N 1 2 350.423 -1.302 20 0 FAADLO CC1CCN(C(=O)C[N@H+]2C[C@@H](NC(=O)Cn3cncn3)[C@@H](O)C2)CC1 ZINC001084032477 790583837 /nfs/dbraw/zinc/58/38/37/790583837.db2.gz LIDWSZCJBZXRNB-KGLIPLIRSA-N 1 2 350.423 -1.302 20 0 FAADLO 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CC(C)(C)N1CC[C@@H]([N@H+]2C[C@@H](NC(=O)Cn3cncn3)[C@@H](O)C2)C1=O ZINC001084033663 790585052 /nfs/dbraw/zinc/58/50/52/790585052.db2.gz AEIVRLZOBHTDKK-UPJWGTAASA-N 1 2 350.423 -1.161 20 0 FAADLO C[C@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001084033677 790584907 /nfs/dbraw/zinc/58/49/07/790584907.db2.gz AMZMOIBXSLDJON-BNOWGMLFSA-N 1 2 350.423 -1.113 20 0 FAADLO C[C@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001084033677 790584900 /nfs/dbraw/zinc/58/49/00/790584900.db2.gz AMZMOIBXSLDJON-BNOWGMLFSA-N 1 2 350.423 -1.113 20 0 FAADLO C[C@@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001084033678 790584611 /nfs/dbraw/zinc/58/46/11/790584611.db2.gz AMZMOIBXSLDJON-YUTCNCBUSA-N 1 2 350.423 -1.113 20 0 FAADLO C[C@@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001084033678 790584602 /nfs/dbraw/zinc/58/46/02/790584602.db2.gz AMZMOIBXSLDJON-YUTCNCBUSA-N 1 2 350.423 -1.113 20 0 FAADLO C[C@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001084033687 790584945 /nfs/dbraw/zinc/58/49/45/790584945.db2.gz AXRVGOHKLCJPDT-MCIONIFRSA-N 1 2 350.423 -1.160 20 0 FAADLO C[C@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001084033687 790584936 /nfs/dbraw/zinc/58/49/36/790584936.db2.gz AXRVGOHKLCJPDT-MCIONIFRSA-N 1 2 350.423 -1.160 20 0 FAADLO C[C@@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001084033688 790584741 /nfs/dbraw/zinc/58/47/41/790584741.db2.gz AXRVGOHKLCJPDT-MJBXVCDLSA-N 1 2 350.423 -1.160 20 0 FAADLO C[C@@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001084033688 790584731 /nfs/dbraw/zinc/58/47/31/790584731.db2.gz AXRVGOHKLCJPDT-MJBXVCDLSA-N 1 2 350.423 -1.160 20 0 FAADLO O=C(Cn1cncn1)N[C@@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@@H]1O ZINC001084033847 790585158 /nfs/dbraw/zinc/58/51/58/790585158.db2.gz IZNVNVQDVZCGST-UPJWGTAASA-N 1 2 357.436 -1.736 20 0 FAADLO 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CN(C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H](O)C1)C1CC1 ZINC001084068023 790608035 /nfs/dbraw/zinc/60/80/35/790608035.db2.gz JHQJAIPSMWPEJF-TUAOUCFPSA-N 1 2 360.436 -2.540 20 0 FAADLO CN(C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@@H](O)C1)C1CC1 ZINC001084068024 790607635 /nfs/dbraw/zinc/60/76/35/790607635.db2.gz JHQJAIPSMWPEJF-UTUOFQBUSA-N 1 2 360.436 -2.540 20 0 FAADLO CN(C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@@H](O)C1)C1CC1 ZINC001084068024 790607629 /nfs/dbraw/zinc/60/76/29/790607629.db2.gz JHQJAIPSMWPEJF-UTUOFQBUSA-N 1 2 360.436 -2.540 20 0 FAADLO COc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CCS(=O)(=O)N3)[C@@H](O)C2)n1 ZINC001084068069 790607954 /nfs/dbraw/zinc/60/79/54/790607954.db2.gz LDRZHZAKSXPCHV-UPJWGTAASA-N 1 2 370.431 -1.557 20 0 FAADLO COc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CCS(=O)(=O)N3)[C@@H](O)C2)n1 ZINC001084068069 790607948 /nfs/dbraw/zinc/60/79/48/790607948.db2.gz LDRZHZAKSXPCHV-UPJWGTAASA-N 1 2 370.431 -1.557 20 0 FAADLO COc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)[C@@H](O)C2)n1 ZINC001084068070 790607936 /nfs/dbraw/zinc/60/79/36/790607936.db2.gz LDRZHZAKSXPCHV-XQQFMLRXSA-N 1 2 370.431 -1.557 20 0 FAADLO COc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)[C@@H](O)C2)n1 ZINC001084068070 790607927 /nfs/dbraw/zinc/60/79/27/790607927.db2.gz LDRZHZAKSXPCHV-XQQFMLRXSA-N 1 2 370.431 -1.557 20 0 FAADLO O=C(C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H](O)C1)N1CCCC1 ZINC001084068113 790608672 /nfs/dbraw/zinc/60/86/72/790608672.db2.gz MTQPIPOFSRSSNC-TUAOUCFPSA-N 1 2 360.436 -2.538 20 0 FAADLO O=C(C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H](O)C1)N1CCCC1 ZINC001084068113 790608668 /nfs/dbraw/zinc/60/86/68/790608668.db2.gz MTQPIPOFSRSSNC-TUAOUCFPSA-N 1 2 360.436 -2.538 20 0 FAADLO O=C(C[N@H+]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@@H](O)C1)N1CCCC1 ZINC001084068114 790608779 /nfs/dbraw/zinc/60/87/79/790608779.db2.gz MTQPIPOFSRSSNC-UTUOFQBUSA-N 1 2 360.436 -2.538 20 0 FAADLO O=C(C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@@H](O)C1)N1CCCC1 ZINC001084068114 790608776 /nfs/dbraw/zinc/60/87/76/790608776.db2.gz MTQPIPOFSRSSNC-UTUOFQBUSA-N 1 2 360.436 -2.538 20 0 FAADLO Cc1nn(C)cc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@@H](O)C1 ZINC001084068302 790608763 /nfs/dbraw/zinc/60/87/63/790608763.db2.gz UNEULIRRSXYPLP-UPJWGTAASA-N 1 2 357.436 -1.918 20 0 FAADLO Cc1nn(C)cc1C[N@H+]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@@H](O)C1 ZINC001084068302 790608759 /nfs/dbraw/zinc/60/87/59/790608759.db2.gz UNEULIRRSXYPLP-UPJWGTAASA-N 1 2 357.436 -1.918 20 0 FAADLO Cc1nn(C)cc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H](O)C1 ZINC001084068303 790608913 /nfs/dbraw/zinc/60/89/13/790608913.db2.gz UNEULIRRSXYPLP-XQQFMLRXSA-N 1 2 357.436 -1.918 20 0 FAADLO Cc1nn(C)cc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H](O)C1 ZINC001084068303 790608907 /nfs/dbraw/zinc/60/89/07/790608907.db2.gz UNEULIRRSXYPLP-XQQFMLRXSA-N 1 2 357.436 -1.918 20 0 FAADLO CCc1nocc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@@H](O)C1 ZINC001084068321 790609053 /nfs/dbraw/zinc/60/90/53/790609053.db2.gz VJCFCPWSPBVESO-UPJWGTAASA-N 1 2 358.420 -1.410 20 0 FAADLO CCc1nocc1C[N@H+]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@@H](O)C1 ZINC001084068321 790609047 /nfs/dbraw/zinc/60/90/47/790609047.db2.gz VJCFCPWSPBVESO-UPJWGTAASA-N 1 2 358.420 -1.410 20 0 FAADLO CCc1nocc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H](O)C1 ZINC001084068322 790608724 /nfs/dbraw/zinc/60/87/24/790608724.db2.gz VJCFCPWSPBVESO-XQQFMLRXSA-N 1 2 358.420 -1.410 20 0 FAADLO CCc1nocc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H](O)C1 ZINC001084068322 790608720 /nfs/dbraw/zinc/60/87/20/790608720.db2.gz VJCFCPWSPBVESO-XQQFMLRXSA-N 1 2 358.420 -1.410 20 0 FAADLO Cc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CCS(=O)(=O)N3)[C@@H](O)C2)ncn1 ZINC001084068388 790610127 /nfs/dbraw/zinc/61/01/27/790610127.db2.gz XPSLMSXQASZGMG-UPJWGTAASA-N 1 2 355.420 -1.862 20 0 FAADLO Cc1cc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CCS(=O)(=O)N3)[C@@H](O)C2)ncn1 ZINC001084068388 790610123 /nfs/dbraw/zinc/61/01/23/790610123.db2.gz XPSLMSXQASZGMG-UPJWGTAASA-N 1 2 355.420 -1.862 20 0 FAADLO Cc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)[C@@H](O)C2)ncn1 ZINC001084068389 790610307 /nfs/dbraw/zinc/61/03/07/790610307.db2.gz XPSLMSXQASZGMG-XQQFMLRXSA-N 1 2 355.420 -1.862 20 0 FAADLO Cc1cc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)[C@@H](O)C2)ncn1 ZINC001084068389 790610303 /nfs/dbraw/zinc/61/03/03/790610303.db2.gz XPSLMSXQASZGMG-XQQFMLRXSA-N 1 2 355.420 -1.862 20 0 FAADLO COc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CCS(=O)(=O)N3)[C@@H](O)C2)ccn1 ZINC001084068413 790610366 /nfs/dbraw/zinc/61/03/66/790610366.db2.gz YRNDFUDSDNXPTP-UPJWGTAASA-N 1 2 370.431 -1.557 20 0 FAADLO COc1cc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CCS(=O)(=O)N3)[C@@H](O)C2)ccn1 ZINC001084068413 790610363 /nfs/dbraw/zinc/61/03/63/790610363.db2.gz YRNDFUDSDNXPTP-UPJWGTAASA-N 1 2 370.431 -1.557 20 0 FAADLO COc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)[C@@H](O)C2)ccn1 ZINC001084068414 790610259 /nfs/dbraw/zinc/61/02/59/790610259.db2.gz YRNDFUDSDNXPTP-XQQFMLRXSA-N 1 2 370.431 -1.557 20 0 FAADLO COc1cc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)[C@@H](O)C2)ccn1 ZINC001084068414 790610255 /nfs/dbraw/zinc/61/02/55/790610255.db2.gz YRNDFUDSDNXPTP-XQQFMLRXSA-N 1 2 370.431 -1.557 20 0 FAADLO Cc1nccc(C(=O)N[C@@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@@H]2O)n1 ZINC001084068716 790610221 /nfs/dbraw/zinc/61/02/21/790610221.db2.gz FDLIDKBTRZHYNI-KGLIPLIRSA-N 1 2 369.447 -1.405 20 0 FAADLO Cc1nccc(C(=O)N[C@@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@@H]2O)n1 ZINC001084068716 790610218 /nfs/dbraw/zinc/61/02/18/790610218.db2.gz FDLIDKBTRZHYNI-KGLIPLIRSA-N 1 2 369.447 -1.405 20 0 FAADLO CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001084070218 790610359 /nfs/dbraw/zinc/61/03/59/790610359.db2.gz DHZJHTOIKDLMIY-MCIONIFRSA-N 1 2 354.451 -1.117 20 0 FAADLO CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001084070218 790610356 /nfs/dbraw/zinc/61/03/56/790610356.db2.gz DHZJHTOIKDLMIY-MCIONIFRSA-N 1 2 354.451 -1.117 20 0 FAADLO CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001084070219 790610182 /nfs/dbraw/zinc/61/01/82/790610182.db2.gz DHZJHTOIKDLMIY-RDBSUJKOSA-N 1 2 354.451 -1.117 20 0 FAADLO CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001084070219 790610177 /nfs/dbraw/zinc/61/01/77/790610177.db2.gz DHZJHTOIKDLMIY-RDBSUJKOSA-N 1 2 354.451 -1.117 20 0 FAADLO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@@H]1O ZINC001084072969 790611484 /nfs/dbraw/zinc/61/14/84/790611484.db2.gz DEDRUIXOQSEBPE-ILXRZTDVSA-N 1 2 352.391 -1.108 20 0 FAADLO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cnoc2C)C[C@@H]1O ZINC001084072969 790611480 /nfs/dbraw/zinc/61/14/80/790611480.db2.gz DEDRUIXOQSEBPE-ILXRZTDVSA-N 1 2 352.391 -1.108 20 0 FAADLO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@@H]1O ZINC001084072970 790611274 /nfs/dbraw/zinc/61/12/74/790611274.db2.gz DEDRUIXOQSEBPE-KFWWJZLASA-N 1 2 352.391 -1.108 20 0 FAADLO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cnoc2C)C[C@@H]1O ZINC001084072970 790611268 /nfs/dbraw/zinc/61/12/68/790611268.db2.gz DEDRUIXOQSEBPE-KFWWJZLASA-N 1 2 352.391 -1.108 20 0 FAADLO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001084072985 790611091 /nfs/dbraw/zinc/61/10/91/790611091.db2.gz DWAPYTDPSPBVMI-MCIONIFRSA-N 1 2 354.407 -2.373 20 0 FAADLO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001084072985 790611085 /nfs/dbraw/zinc/61/10/85/790611085.db2.gz DWAPYTDPSPBVMI-MCIONIFRSA-N 1 2 354.407 -2.373 20 0 FAADLO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001084072986 790611421 /nfs/dbraw/zinc/61/14/21/790611421.db2.gz DWAPYTDPSPBVMI-RDBSUJKOSA-N 1 2 354.407 -2.373 20 0 FAADLO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001084072986 790611417 /nfs/dbraw/zinc/61/14/17/790611417.db2.gz DWAPYTDPSPBVMI-RDBSUJKOSA-N 1 2 354.407 -2.373 20 0 FAADLO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2conc2C)C[C@@H]1O ZINC001084073196 790611397 /nfs/dbraw/zinc/61/13/97/790611397.db2.gz LIGKBXNDUXXELX-ILXRZTDVSA-N 1 2 352.391 -1.108 20 0 FAADLO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2conc2C)C[C@@H]1O ZINC001084073196 790611389 /nfs/dbraw/zinc/61/13/89/790611389.db2.gz LIGKBXNDUXXELX-ILXRZTDVSA-N 1 2 352.391 -1.108 20 0 FAADLO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2conc2C)C[C@@H]1O ZINC001084073197 790611042 /nfs/dbraw/zinc/61/10/42/790611042.db2.gz LIGKBXNDUXXELX-KFWWJZLASA-N 1 2 352.391 -1.108 20 0 FAADLO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2conc2C)C[C@@H]1O ZINC001084073197 790611032 /nfs/dbraw/zinc/61/10/32/790611032.db2.gz LIGKBXNDUXXELX-KFWWJZLASA-N 1 2 352.391 -1.108 20 0 FAADLO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@@H]1O 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Cn1cnnc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@@H]21 ZINC001085095827 790642330 /nfs/dbraw/zinc/64/23/30/790642330.db2.gz MZMSFKBHQFPXHY-UPJWGTAASA-N 1 2 368.463 -1.070 20 0 FAADLO Cn1cnnc1C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@@H]21 ZINC001085095827 790642324 /nfs/dbraw/zinc/64/23/24/790642324.db2.gz MZMSFKBHQFPXHY-UPJWGTAASA-N 1 2 368.463 -1.070 20 0 FAADLO Cn1ncc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4CCS(=O)(=O)N4)C[C@@H]32)n1 ZINC001085096020 790642019 /nfs/dbraw/zinc/64/20/19/790642019.db2.gz XOSLNJVXLRJHKY-BNOWGMLFSA-N 1 2 368.463 -1.070 20 0 FAADLO Cn1ncc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@H]4CCS(=O)(=O)N4)C[C@@H]32)n1 ZINC001085096020 790642011 /nfs/dbraw/zinc/64/20/11/790642011.db2.gz XOSLNJVXLRJHKY-BNOWGMLFSA-N 1 2 368.463 -1.070 20 0 FAADLO Cn1ncc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4CCS(=O)(=O)N4)C[C@@H]32)n1 ZINC001085096021 790641630 /nfs/dbraw/zinc/64/16/30/790641630.db2.gz XOSLNJVXLRJHKY-XBFCOCLRSA-N 1 2 368.463 -1.070 20 0 FAADLO Cn1ncc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4CCS(=O)(=O)N4)C[C@@H]32)n1 ZINC001085096021 790641622 /nfs/dbraw/zinc/64/16/22/790641622.db2.gz XOSLNJVXLRJHKY-XBFCOCLRSA-N 1 2 368.463 -1.070 20 0 FAADLO Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CN(C)CCO2)nc1=O ZINC001085159556 790641756 /nfs/dbraw/zinc/64/17/56/790641756.db2.gz ZCQLTJKYXXRNAH-JHJVBQTASA-N 1 2 352.439 -1.044 20 0 FAADLO Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CN(C)CCO2)nc1=O ZINC001085159557 790641548 /nfs/dbraw/zinc/64/15/48/790641548.db2.gz ZCQLTJKYXXRNAH-UPJWGTAASA-N 1 2 352.439 -1.044 20 0 FAADLO Cn1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN2CCCS2(=O)=O)n1 ZINC001085217844 790645352 /nfs/dbraw/zinc/64/53/52/790645352.db2.gz UFNXZNQCCWBCRL-VXGBXAGGSA-N 1 2 371.467 -1.237 20 0 FAADLO Cn1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN2CCOCC2=O)n1 ZINC001085226852 790646936 /nfs/dbraw/zinc/64/69/36/790646936.db2.gz UVQRCUMMPPFYKH-VXGBXAGGSA-N 1 2 351.411 -1.414 20 0 FAADLO Cn1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[C@@H]2NC(=O)NC2=O)n1 ZINC001085229411 790646708 /nfs/dbraw/zinc/64/67/08/790646708.db2.gz QIJYSYWLPUKUKZ-BBBLOLIVSA-N 1 2 350.383 -1.675 20 0 FAADLO Cn1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN2CCNC(=O)C2)n1 ZINC001085295056 790646749 /nfs/dbraw/zinc/64/67/49/790646749.db2.gz OUMCFNYGSOHYJX-VXGBXAGGSA-N 1 2 350.427 -1.841 20 0 FAADLO CS(=O)(=O)Cc1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C(N)=O)n1 ZINC001085317930 790648135 /nfs/dbraw/zinc/64/81/35/790648135.db2.gz XBZFLPOSACACLF-RKDXNWHRSA-N 1 2 359.408 -1.384 20 0 FAADLO Cn1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)n1 ZINC001085330764 790648145 /nfs/dbraw/zinc/64/81/45/790648145.db2.gz BDJCQIBPCWEJDJ-WISYIIOYSA-N 1 2 351.411 -1.240 20 0 FAADLO Cn1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CC(=O)NC(=O)N2)n1 ZINC001085347979 790648012 /nfs/dbraw/zinc/64/80/12/790648012.db2.gz KFAFHKYELYLTJL-BBBLOLIVSA-N 1 2 350.383 -1.675 20 0 FAADLO Cn1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCN(C)S2(=O)=O)n1 ZINC001085359789 790649328 /nfs/dbraw/zinc/64/93/28/790649328.db2.gz AOKWRGLDJUWKSJ-IJLUTSLNSA-N 1 2 371.467 -1.239 20 0 FAADLO Cn1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCN(C)S2(=O)=O)n1 ZINC001085359790 790649426 /nfs/dbraw/zinc/64/94/26/790649426.db2.gz AOKWRGLDJUWKSJ-UTUOFQBUSA-N 1 2 371.467 -1.239 20 0 FAADLO Cn1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN2CC(=O)NC2=O)n1 ZINC001085366415 790649362 /nfs/dbraw/zinc/64/93/62/790649362.db2.gz VWIOTYMQAWRRQM-NXEZZACHSA-N 1 2 350.383 -1.721 20 0 FAADLO Cn1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN2C(=O)CNC2=O)n1 ZINC001085416113 790652461 /nfs/dbraw/zinc/65/24/61/790652461.db2.gz GGNLESFUSKKGOI-NXEZZACHSA-N 1 2 350.383 -1.721 20 0 FAADLO Cn1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCS(=O)(=O)N2)n1 ZINC001085426974 790653856 /nfs/dbraw/zinc/65/38/56/790653856.db2.gz ICBDCOCKBUCEAS-GMTAPVOTSA-N 1 2 357.440 -1.581 20 0 FAADLO Cn1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCS(=O)(=O)N2)n1 ZINC001085426975 790653575 /nfs/dbraw/zinc/65/35/75/790653575.db2.gz ICBDCOCKBUCEAS-MXWKQRLJSA-N 1 2 357.440 -1.581 20 0 FAADLO CN(C[C@H]1CCN1CC(N)=O)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001085737291 790658776 /nfs/dbraw/zinc/65/87/76/790658776.db2.gz JUJKAOUMCUSGFY-KFWWJZLASA-N 1 2 354.451 -1.116 20 0 FAADLO CN(C[C@@H]1CCN1CC(N)=O)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001085737292 790659201 /nfs/dbraw/zinc/65/92/01/790659201.db2.gz JUJKAOUMCUSGFY-ZNMIVQPWSA-N 1 2 354.451 -1.116 20 0 FAADLO CN(C[C@H]1CC[N@H+]1CC(=O)NC1CCOCC1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001085820976 790660358 /nfs/dbraw/zinc/66/03/58/790660358.db2.gz PXPFEVHBOBHACU-MCIONIFRSA-N 1 2 352.435 -1.064 20 0 FAADLO CN(C[C@H]1CC[N@@H+]1CC(=O)NC1CCOCC1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001085820976 790660350 /nfs/dbraw/zinc/66/03/50/790660350.db2.gz PXPFEVHBOBHACU-MCIONIFRSA-N 1 2 352.435 -1.064 20 0 FAADLO CN(C[C@@H]1CC[N@H+]1CC(=O)NC1CCOCC1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001085820977 790660937 /nfs/dbraw/zinc/66/09/37/790660937.db2.gz PXPFEVHBOBHACU-MJBXVCDLSA-N 1 2 352.435 -1.064 20 0 FAADLO CN(C[C@@H]1CC[N@@H+]1CC(=O)NC1CCOCC1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001085820977 790660932 /nfs/dbraw/zinc/66/09/32/790660932.db2.gz PXPFEVHBOBHACU-MJBXVCDLSA-N 1 2 352.435 -1.064 20 0 FAADLO CN(C[C@H]1CC[N@H+]1CCN1CCCS1(=O)=O)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001085821566 790660993 /nfs/dbraw/zinc/66/09/93/790660993.db2.gz GUALEKFCDFLLJB-UPJWGTAASA-N 1 2 358.464 -1.324 20 0 FAADLO CN(C[C@H]1CC[N@@H+]1CCN1CCCS1(=O)=O)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001085821566 790660987 /nfs/dbraw/zinc/66/09/87/790660987.db2.gz GUALEKFCDFLLJB-UPJWGTAASA-N 1 2 358.464 -1.324 20 0 FAADLO CN(C[C@@H]1CC[N@H+]1CCN1CCCS1(=O)=O)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001085821567 790660507 /nfs/dbraw/zinc/66/05/07/790660507.db2.gz GUALEKFCDFLLJB-XQQFMLRXSA-N 1 2 358.464 -1.324 20 0 FAADLO CN(C[C@@H]1CC[N@@H+]1CCN1CCCS1(=O)=O)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001085821567 790660499 /nfs/dbraw/zinc/66/04/99/790660499.db2.gz GUALEKFCDFLLJB-XQQFMLRXSA-N 1 2 358.464 -1.324 20 0 FAADLO C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)O1 ZINC001086121035 790665125 /nfs/dbraw/zinc/66/51/25/790665125.db2.gz YYPMMJOVEXKHAY-FVCCEPFGSA-N 1 2 352.439 -1.188 20 0 FAADLO C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)O1 ZINC001086400830 790668593 /nfs/dbraw/zinc/66/85/93/790668593.db2.gz YYPMMJOVEXKHAY-FDYHWXHSSA-N 1 2 352.439 -1.188 20 0 FAADLO NC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001086624671 790771650 /nfs/dbraw/zinc/77/16/50/790771650.db2.gz PRGWUUUVJDIXCG-BFHYXJOUSA-N 1 2 366.443 -1.252 20 0 FAADLO NC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001086624671 790771644 /nfs/dbraw/zinc/77/16/44/790771644.db2.gz PRGWUUUVJDIXCG-BFHYXJOUSA-N 1 2 366.443 -1.252 20 0 FAADLO NC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001086624672 790771729 /nfs/dbraw/zinc/77/17/29/790771729.db2.gz PRGWUUUVJDIXCG-MELADBBJSA-N 1 2 366.443 -1.252 20 0 FAADLO NC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001086624672 790771723 /nfs/dbraw/zinc/77/17/23/790771723.db2.gz PRGWUUUVJDIXCG-MELADBBJSA-N 1 2 366.443 -1.252 20 0 FAADLO Cn1cc([C@@H]2CN(C(=O)CS(C)(=O)=O)C[C@H]2[NH2+]Cc2cnon2)cn1 ZINC001086969615 790916744 /nfs/dbraw/zinc/91/67/44/790916744.db2.gz ALUPJQNNPQFQNO-QWHCGFSZSA-N 1 2 368.419 -1.068 20 0 FAADLO CCO[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001087032334 790918258 /nfs/dbraw/zinc/91/82/58/790918258.db2.gz JNGWBHHYOHLYGC-GHMZBOCLSA-N 1 2 360.440 -1.792 20 0 FAADLO CCO[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C[NH2+]Cc1noc(CCOC)n1 ZINC001087078928 790921887 /nfs/dbraw/zinc/92/18/87/790921887.db2.gz RUQHSJVLUUGEAX-GHMZBOCLSA-N 1 2 355.395 -1.303 20 0 FAADLO C[C@@H]1CCN(C(=O)CS(C)(=O)=O)[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001087130532 789654873 /nfs/dbraw/zinc/65/48/73/789654873.db2.gz WFWAFTGFBRERBD-MNOVXSKESA-N 1 2 359.452 -1.130 20 0 FAADLO C[C@@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001087198614 789657441 /nfs/dbraw/zinc/65/74/41/789657441.db2.gz SLWJCBZQOIJKEJ-GRYCIOLGSA-N 1 2 350.427 -1.050 20 0 FAADLO C[C@@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001087198615 789657786 /nfs/dbraw/zinc/65/77/86/789657786.db2.gz SLWJCBZQOIJKEJ-WOPDTQHZSA-N 1 2 350.427 -1.050 20 0 FAADLO CNC(=O)Cc1noc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)C(N)=O)n1 ZINC001087207651 789657897 /nfs/dbraw/zinc/65/78/97/789657897.db2.gz PCVOZRBWOSPFHY-ZJUUUORDSA-N 1 2 352.395 -1.440 20 0 FAADLO C[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001087247755 789660507 /nfs/dbraw/zinc/66/05/07/789660507.db2.gz YZQNGORJJDLGFJ-GRYCIOLGSA-N 1 2 371.467 -1.382 20 0 FAADLO C[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001087247756 789661066 /nfs/dbraw/zinc/66/10/66/789661066.db2.gz YZQNGORJJDLGFJ-WOPDTQHZSA-N 1 2 371.467 -1.382 20 0 FAADLO CC[C@@H]1[C@@H](NC(=O)CN2CN=NC2=O)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001087546390 790339260 /nfs/dbraw/zinc/33/92/60/790339260.db2.gz DSBJPJQPTOKNHE-VHSXEESVSA-N 1 2 350.383 -1.425 20 0 FAADLO CC[C@@H]1[C@@H](NC(=O)CN2CN=NC2=O)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001087546390 790339247 /nfs/dbraw/zinc/33/92/47/790339247.db2.gz DSBJPJQPTOKNHE-VHSXEESVSA-N 1 2 350.383 -1.425 20 0 FAADLO CC[C@@H]1[C@@H](NC(=O)CN2CCOCC2)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001087546616 790339557 /nfs/dbraw/zinc/33/95/57/790339557.db2.gz CJDHPZPPQWDMFU-QWHCGFSZSA-N 1 2 352.439 -1.090 20 0 FAADLO CC[C@@H]1[C@@H](NC(=O)CN2CCOCC2)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001087546616 790339543 /nfs/dbraw/zinc/33/95/43/790339543.db2.gz CJDHPZPPQWDMFU-QWHCGFSZSA-N 1 2 352.439 -1.090 20 0 FAADLO CC[C@@H]1[C@@H](NC(=O)[C@@H]2COCCN2C)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001087547350 790339645 /nfs/dbraw/zinc/33/96/45/790339645.db2.gz DFLBIZFIHQJJPZ-XQQFMLRXSA-N 1 2 352.439 -1.092 20 0 FAADLO CC[C@@H]1[C@@H](NC(=O)[C@@H]2COCCN2C)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001087547350 790339631 /nfs/dbraw/zinc/33/96/31/790339631.db2.gz DFLBIZFIHQJJPZ-XQQFMLRXSA-N 1 2 352.439 -1.092 20 0 FAADLO CC[C@@H]1[C@@H](NC(=O)[C@H]2COCCN2C)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001087547351 790341058 /nfs/dbraw/zinc/34/10/58/790341058.db2.gz DFLBIZFIHQJJPZ-YNEHKIRRSA-N 1 2 352.439 -1.092 20 0 FAADLO CC[C@@H]1[C@@H](NC(=O)[C@H]2COCCN2C)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001087547351 790341046 /nfs/dbraw/zinc/34/10/46/790341046.db2.gz DFLBIZFIHQJJPZ-YNEHKIRRSA-N 1 2 352.439 -1.092 20 0 FAADLO CC[C@@H]1[C@@H](NC(=O)CN2CCOCC2=O)CC[N@H+]1CCS(C)(=O)=O ZINC001087603860 790340868 /nfs/dbraw/zinc/34/08/68/790340868.db2.gz MSERKJQXMOYQMF-QWHCGFSZSA-N 1 2 361.464 -1.141 20 0 FAADLO CC[C@@H]1[C@@H](NC(=O)CN2CCOCC2=O)CC[N@@H+]1CCS(C)(=O)=O ZINC001087603860 790340852 /nfs/dbraw/zinc/34/08/52/790340852.db2.gz MSERKJQXMOYQMF-QWHCGFSZSA-N 1 2 361.464 -1.141 20 0 FAADLO 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Cn1cnnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@@H]2C1 ZINC001088204531 790364118 /nfs/dbraw/zinc/36/41/18/790364118.db2.gz BLVWRMZDQWFMQQ-FRRDWIJNSA-N 1 2 368.463 -1.213 20 0 FAADLO Cn1cnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@@H]2C1 ZINC001088204531 790364102 /nfs/dbraw/zinc/36/41/02/790364102.db2.gz BLVWRMZDQWFMQQ-FRRDWIJNSA-N 1 2 368.463 -1.213 20 0 FAADLO Cn1ncnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@@H]2C1 ZINC001088204595 790364152 /nfs/dbraw/zinc/36/41/52/790364152.db2.gz FBVSOJWYMVNTPR-AGIUHOORSA-N 1 2 368.463 -1.213 20 0 FAADLO Cn1ncnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@@H]2C1 ZINC001088204595 790364140 /nfs/dbraw/zinc/36/41/40/790364140.db2.gz FBVSOJWYMVNTPR-AGIUHOORSA-N 1 2 368.463 -1.213 20 0 FAADLO Cn1ncnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@@H]2C1 ZINC001088204596 790362673 /nfs/dbraw/zinc/36/26/73/790362673.db2.gz FBVSOJWYMVNTPR-FRRDWIJNSA-N 1 2 368.463 -1.213 20 0 FAADLO Cn1ncnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@@H]2C1 ZINC001088204596 790362657 /nfs/dbraw/zinc/36/26/57/790362657.db2.gz FBVSOJWYMVNTPR-FRRDWIJNSA-N 1 2 368.463 -1.213 20 0 FAADLO Cn1nnnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@@H]2C1 ZINC001088204821 790363186 /nfs/dbraw/zinc/36/31/86/790363186.db2.gz OXNVFEXBGWDJSS-GRYCIOLGSA-N 1 2 369.451 -1.818 20 0 FAADLO Cn1nnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@@H]2C1 ZINC001088204821 790363173 /nfs/dbraw/zinc/36/31/73/790363173.db2.gz OXNVFEXBGWDJSS-GRYCIOLGSA-N 1 2 369.451 -1.818 20 0 FAADLO Cn1nnnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@@H]2C1 ZINC001088204822 790364263 /nfs/dbraw/zinc/36/42/63/790364263.db2.gz OXNVFEXBGWDJSS-WOPDTQHZSA-N 1 2 369.451 -1.818 20 0 FAADLO Cn1nnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@@H]2C1 ZINC001088204822 790364256 /nfs/dbraw/zinc/36/42/56/790364256.db2.gz OXNVFEXBGWDJSS-WOPDTQHZSA-N 1 2 369.451 -1.818 20 0 FAADLO Cn1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCS(=O)(=O)N4)C[C@@H]3C2)n1 ZINC001088204976 790362922 /nfs/dbraw/zinc/36/29/22/790362922.db2.gz WPTNTXVKNIKHNM-DYEKYZERSA-N 1 2 368.463 -1.213 20 0 FAADLO Cn1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCS(=O)(=O)N4)C[C@@H]3C2)n1 ZINC001088204976 790362911 /nfs/dbraw/zinc/36/29/11/790362911.db2.gz WPTNTXVKNIKHNM-DYEKYZERSA-N 1 2 368.463 -1.213 20 0 FAADLO Cn1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCS(=O)(=O)N4)C[C@@H]3C2)n1 ZINC001088204977 790364218 /nfs/dbraw/zinc/36/42/18/790364218.db2.gz WPTNTXVKNIKHNM-MBNYWOFBSA-N 1 2 368.463 -1.213 20 0 FAADLO Cn1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCS(=O)(=O)N4)C[C@@H]3C2)n1 ZINC001088204977 790364205 /nfs/dbraw/zinc/36/42/05/790364205.db2.gz WPTNTXVKNIKHNM-MBNYWOFBSA-N 1 2 368.463 -1.213 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)C2CCOCC2)CC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088443734 790375078 /nfs/dbraw/zinc/37/50/78/790375078.db2.gz RZKBHDBPYYKEQA-OCCSQVGLSA-N 1 2 352.435 -1.050 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)C2CCOCC2)CC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088443734 790375067 /nfs/dbraw/zinc/37/50/67/790375067.db2.gz RZKBHDBPYYKEQA-OCCSQVGLSA-N 1 2 352.435 -1.050 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)C2=COCCO2)CC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088455472 790375279 /nfs/dbraw/zinc/37/52/79/790375279.db2.gz ROXKYWZKDSFZCS-NEPJUHHUSA-N 1 2 352.391 -1.588 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)C2=COCCO2)CC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088455472 790375277 /nfs/dbraw/zinc/37/52/77/790375277.db2.gz ROXKYWZKDSFZCS-NEPJUHHUSA-N 1 2 352.391 -1.588 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088461784 790375353 /nfs/dbraw/zinc/37/53/53/790375353.db2.gz UTXHAKDWGFSNKD-MNOVXSKESA-N 1 2 350.383 -2.790 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088461784 790375337 /nfs/dbraw/zinc/37/53/37/790375337.db2.gz UTXHAKDWGFSNKD-MNOVXSKESA-N 1 2 350.383 -2.790 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2COCCO2)CC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088475287 790377097 /nfs/dbraw/zinc/37/70/97/790377097.db2.gz RECGNTDZAJKMIP-AGIUHOORSA-N 1 2 354.407 -2.061 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2COCCO2)CC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088475287 790377087 /nfs/dbraw/zinc/37/70/87/790377087.db2.gz RECGNTDZAJKMIP-AGIUHOORSA-N 1 2 354.407 -2.061 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2COCCO2)CC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088475288 790376247 /nfs/dbraw/zinc/37/62/47/790376247.db2.gz RECGNTDZAJKMIP-FRRDWIJNSA-N 1 2 354.407 -2.061 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2COCCO2)CC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088475288 790376233 /nfs/dbraw/zinc/37/62/33/790376233.db2.gz RECGNTDZAJKMIP-FRRDWIJNSA-N 1 2 354.407 -2.061 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)c2cnsn2)CC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088481310 790376584 /nfs/dbraw/zinc/37/65/84/790376584.db2.gz XJRAFFFZVPDIER-ZJUUUORDSA-N 1 2 352.420 -1.311 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)c2cnsn2)CC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088481310 790376574 /nfs/dbraw/zinc/37/65/74/790376574.db2.gz XJRAFFFZVPDIER-ZJUUUORDSA-N 1 2 352.420 -1.311 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCOC2)CC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088491747 790378348 /nfs/dbraw/zinc/37/83/48/790378348.db2.gz PIIBKPMZRLFSNJ-MCIONIFRSA-N 1 2 352.435 -1.050 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCOC2)CC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088491747 790378333 /nfs/dbraw/zinc/37/83/33/790378333.db2.gz PIIBKPMZRLFSNJ-MCIONIFRSA-N 1 2 352.435 -1.050 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCOC2)CC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088491748 790377739 /nfs/dbraw/zinc/37/77/39/790377739.db2.gz PIIBKPMZRLFSNJ-RDBSUJKOSA-N 1 2 352.435 -1.050 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCOC2)CC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088491748 790377732 /nfs/dbraw/zinc/37/77/32/790377732.db2.gz PIIBKPMZRLFSNJ-RDBSUJKOSA-N 1 2 352.435 -1.050 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2)CC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088495562 790377421 /nfs/dbraw/zinc/37/74/21/790377421.db2.gz ZOIBLCAVCRWJEX-GRYCIOLGSA-N 1 2 351.407 -2.198 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2)CC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088495562 790377418 /nfs/dbraw/zinc/37/74/18/790377418.db2.gz ZOIBLCAVCRWJEX-GRYCIOLGSA-N 1 2 351.407 -2.198 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)C[C@H]2CCOC2)CC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088501826 790379097 /nfs/dbraw/zinc/37/90/97/790379097.db2.gz KQFPYLGFDQSBGF-MCIONIFRSA-N 1 2 352.435 -1.050 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)C[C@H]2CCOC2)CC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088501826 790379086 /nfs/dbraw/zinc/37/90/86/790379086.db2.gz KQFPYLGFDQSBGF-MCIONIFRSA-N 1 2 352.435 -1.050 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CCOC2)CC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088501827 790377666 /nfs/dbraw/zinc/37/76/66/790377666.db2.gz KQFPYLGFDQSBGF-RDBSUJKOSA-N 1 2 352.435 -1.050 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CCOC2)CC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088501827 790377660 /nfs/dbraw/zinc/37/76/60/790377660.db2.gz KQFPYLGFDQSBGF-RDBSUJKOSA-N 1 2 352.435 -1.050 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)C2=CCOCC2)CC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088537358 790379286 /nfs/dbraw/zinc/37/92/86/790379286.db2.gz SUFHAOJVSVWDOZ-OCCSQVGLSA-N 1 2 350.419 -1.130 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)C2=CCOCC2)CC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088537358 790379275 /nfs/dbraw/zinc/37/92/75/790379275.db2.gz SUFHAOJVSVWDOZ-OCCSQVGLSA-N 1 2 350.419 -1.130 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2COC(=O)N2)CC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088550168 790380414 /nfs/dbraw/zinc/38/04/14/790380414.db2.gz QGZNOXNGIUWAJF-OUAUKWLOSA-N 1 2 353.379 -2.368 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2COC(=O)N2)CC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088550168 790380401 /nfs/dbraw/zinc/38/04/01/790380401.db2.gz QGZNOXNGIUWAJF-OUAUKWLOSA-N 1 2 353.379 -2.368 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2COC(=O)N2)CC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088550169 790379484 /nfs/dbraw/zinc/37/94/84/790379484.db2.gz QGZNOXNGIUWAJF-VWYCJHECSA-N 1 2 353.379 -2.368 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2COC(=O)N2)CC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088550169 790379474 /nfs/dbraw/zinc/37/94/74/790379474.db2.gz QGZNOXNGIUWAJF-VWYCJHECSA-N 1 2 353.379 -2.368 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088569851 790381467 /nfs/dbraw/zinc/38/14/67/790381467.db2.gz OBJYIIVCCKOKOJ-MNOVXSKESA-N 1 2 350.383 -2.790 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088569851 790381465 /nfs/dbraw/zinc/38/14/65/790381465.db2.gz OBJYIIVCCKOKOJ-MNOVXSKESA-N 1 2 350.383 -2.790 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[N@H+]1CCS(C)(=O)=O ZINC001088578903 790386946 /nfs/dbraw/zinc/38/69/46/790386946.db2.gz CMEGFFRUXAIKOI-ZJUUUORDSA-N 1 2 358.424 -1.999 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[N@@H+]1CCS(C)(=O)=O ZINC001088578903 790386938 /nfs/dbraw/zinc/38/69/38/790386938.db2.gz CMEGFFRUXAIKOI-ZJUUUORDSA-N 1 2 358.424 -1.999 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@]23C[C@H]2COC3)CC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088580861 790386872 /nfs/dbraw/zinc/38/68/72/790386872.db2.gz KJLRWLBVZDEQIH-XREXNNHRSA-N 1 2 350.419 -1.440 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@]23C[C@H]2COC3)CC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088580861 790386861 /nfs/dbraw/zinc/38/68/61/790386861.db2.gz KJLRWLBVZDEQIH-XREXNNHRSA-N 1 2 350.419 -1.440 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)C2CS(=O)(=O)C2)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001088590110 790388162 /nfs/dbraw/zinc/38/81/62/790388162.db2.gz KSILLSSPOPJZNC-PWSUYJOCSA-N 1 2 357.432 -1.241 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)C2CS(=O)(=O)C2)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001088590110 790388148 /nfs/dbraw/zinc/38/81/48/790388148.db2.gz KSILLSSPOPJZNC-PWSUYJOCSA-N 1 2 357.432 -1.241 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)CN2CCCS2(=O)=O)CC[N@H+]1Cc1cnnn1C ZINC001088606266 790388412 /nfs/dbraw/zinc/38/84/12/790388412.db2.gz INVLHDIFUCDPSD-YPMHNXCESA-N 1 2 356.452 -1.070 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)CN2CCCS2(=O)=O)CC[N@@H+]1Cc1cnnn1C ZINC001088606266 790388399 /nfs/dbraw/zinc/38/83/99/790388399.db2.gz INVLHDIFUCDPSD-YPMHNXCESA-N 1 2 356.452 -1.070 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)CN2CCCS2(=O)=O)CC[N@H+]1CCS(C)(=O)=O ZINC001088606307 790388956 /nfs/dbraw/zinc/38/89/56/790388956.db2.gz LPLBIYGNRDBLGK-NEPJUHHUSA-N 1 2 367.493 -1.355 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)CN2CCCS2(=O)=O)CC[N@@H+]1CCS(C)(=O)=O ZINC001088606307 790388942 /nfs/dbraw/zinc/38/89/42/790388942.db2.gz LPLBIYGNRDBLGK-NEPJUHHUSA-N 1 2 367.493 -1.355 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)CN2CCOCC2=O)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001088625641 790398035 /nfs/dbraw/zinc/39/80/35/790398035.db2.gz WORRKWYJDYFVPE-MNOVXSKESA-N 1 2 352.395 -1.954 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)CN2CCOCC2=O)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001088625641 790398023 /nfs/dbraw/zinc/39/80/23/790398023.db2.gz WORRKWYJDYFVPE-MNOVXSKESA-N 1 2 352.395 -1.954 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001088630424 790397474 /nfs/dbraw/zinc/39/74/74/790397474.db2.gz FZAMREQBZXYMDX-VGMNWLOBSA-N 1 2 351.367 -2.215 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001088630424 790397452 /nfs/dbraw/zinc/39/74/52/790397452.db2.gz FZAMREQBZXYMDX-VGMNWLOBSA-N 1 2 351.367 -2.215 20 0 FAADLO COC1CC(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCNC(=O)C3)[C@@H]2C)C1 ZINC001088645548 790399835 /nfs/dbraw/zinc/39/98/35/790399835.db2.gz NHTSLASYBJRZMR-RYSNWHEDSA-N 1 2 352.435 -1.051 20 0 FAADLO COC1CC(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCNC(=O)C3)[C@@H]2C)C1 ZINC001088645548 790399826 /nfs/dbraw/zinc/39/98/26/790399826.db2.gz NHTSLASYBJRZMR-RYSNWHEDSA-N 1 2 352.435 -1.051 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCN1Cc1nc(=O)n(C)[nH]1 ZINC001088659052 790399475 /nfs/dbraw/zinc/39/94/75/790399475.db2.gz HCPYAFIUECOQEC-FVCCEPFGSA-N 1 2 352.439 -1.094 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCN1Cc1nc(=O)n(C)[nH]1 ZINC001088659052 790399467 /nfs/dbraw/zinc/39/94/67/790399467.db2.gz HCPYAFIUECOQEC-FVCCEPFGSA-N 1 2 352.439 -1.094 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)CN2CCN(C)C(=O)C2)CC[N@H+]1CCS(C)(=O)=O ZINC001088680599 790399110 /nfs/dbraw/zinc/39/91/10/790399110.db2.gz QDQWBDLMKLDXKQ-OLZOCXBDSA-N 1 2 360.480 -1.616 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)CN2CCN(C)C(=O)C2)CC[N@@H+]1CCS(C)(=O)=O ZINC001088680599 790399102 /nfs/dbraw/zinc/39/91/02/790399102.db2.gz QDQWBDLMKLDXKQ-OLZOCXBDSA-N 1 2 360.480 -1.616 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)Cn2ncn(C)c2=O)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001088681950 790398714 /nfs/dbraw/zinc/39/87/14/790398714.db2.gz ANZMRRSWBOXMBF-ZJUUUORDSA-N 1 2 350.383 -2.217 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)Cn2ncn(C)c2=O)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001088681950 790398704 /nfs/dbraw/zinc/39/87/04/790398704.db2.gz ANZMRRSWBOXMBF-ZJUUUORDSA-N 1 2 350.383 -2.217 20 0 FAADLO CCN1CCOC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)[C@@H]1C ZINC001088683017 790399438 /nfs/dbraw/zinc/39/94/38/790399438.db2.gz CTSCQUJOCGYRFN-AGIUHOORSA-N 1 2 352.439 -1.092 20 0 FAADLO CCN1CCOC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)[C@@H]1C ZINC001088683017 790399427 /nfs/dbraw/zinc/39/94/27/790399427.db2.gz CTSCQUJOCGYRFN-AGIUHOORSA-N 1 2 352.439 -1.092 20 0 FAADLO CCN1CCOC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)[C@@H]1C ZINC001088683018 790398551 /nfs/dbraw/zinc/39/85/51/790398551.db2.gz CTSCQUJOCGYRFN-FRRDWIJNSA-N 1 2 352.439 -1.092 20 0 FAADLO CCN1CCOC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)[C@@H]1C ZINC001088683018 790398544 /nfs/dbraw/zinc/39/85/44/790398544.db2.gz CTSCQUJOCGYRFN-FRRDWIJNSA-N 1 2 352.439 -1.092 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)c2cnn[nH]2)CC[N@H+]1C[C@@H](O)CN1C(=O)CCC1=O ZINC001088697165 790401917 /nfs/dbraw/zinc/40/19/17/790401917.db2.gz XQXBZWPXFYGUAZ-MXWKQRLJSA-N 1 2 350.379 -1.493 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)c2cnn[nH]2)CC[N@@H+]1C[C@@H](O)CN1C(=O)CCC1=O ZINC001088697165 790401908 /nfs/dbraw/zinc/40/19/08/790401908.db2.gz XQXBZWPXFYGUAZ-MXWKQRLJSA-N 1 2 350.379 -1.493 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)c2cnn[nH]2)CC[N@H+]1C[C@H](O)CN1C(=O)CCC1=O ZINC001088697171 790402019 /nfs/dbraw/zinc/40/20/19/790402019.db2.gz XQXBZWPXFYGUAZ-VWYCJHECSA-N 1 2 350.379 -1.493 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)c2cnn[nH]2)CC[N@@H+]1C[C@H](O)CN1C(=O)CCC1=O ZINC001088697171 790402011 /nfs/dbraw/zinc/40/20/11/790402011.db2.gz XQXBZWPXFYGUAZ-VWYCJHECSA-N 1 2 350.379 -1.493 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)CN2CCCNC2=O)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001088701885 790403097 /nfs/dbraw/zinc/40/30/97/790403097.db2.gz PLVKDAFKYAUGDC-MNOVXSKESA-N 1 2 351.411 -1.397 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)CN2CCCNC2=O)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001088701885 790403092 /nfs/dbraw/zinc/40/30/92/790403092.db2.gz PLVKDAFKYAUGDC-MNOVXSKESA-N 1 2 351.411 -1.397 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CC[N@H+]1CCS(C)(=O)=O ZINC001088713083 790403164 /nfs/dbraw/zinc/40/31/64/790403164.db2.gz WCACPVPOHPJGIF-MNOVXSKESA-N 1 2 358.420 -1.428 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CC[N@@H+]1CCS(C)(=O)=O ZINC001088713083 790403154 /nfs/dbraw/zinc/40/31/54/790403154.db2.gz WCACPVPOHPJGIF-MNOVXSKESA-N 1 2 358.420 -1.428 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC[N@H+]1CCn1cncn1 ZINC001088762913 790408146 /nfs/dbraw/zinc/40/81/46/790408146.db2.gz CCCCJSLNFLFCFR-WOPDTQHZSA-N 1 2 370.435 -2.230 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC[N@@H+]1CCn1cncn1 ZINC001088762913 790408145 /nfs/dbraw/zinc/40/81/45/790408145.db2.gz CCCCJSLNFLFCFR-WOPDTQHZSA-N 1 2 370.435 -2.230 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC[N@H+]1CCn1cccn1 ZINC001088763117 790407937 /nfs/dbraw/zinc/40/79/37/790407937.db2.gz OHNVAIZQVNWWKW-AGIUHOORSA-N 1 2 369.447 -1.625 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC[N@@H+]1CCn1cccn1 ZINC001088763117 790407934 /nfs/dbraw/zinc/40/79/34/790407934.db2.gz OHNVAIZQVNWWKW-AGIUHOORSA-N 1 2 369.447 -1.625 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC[N@H+]1CC(N)=O ZINC001088763202 790408309 /nfs/dbraw/zinc/40/83/09/790408309.db2.gz UGLGVHJQNHDGGQ-KBXIAJHMSA-N 1 2 354.451 -1.070 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC[N@@H+]1CC(N)=O ZINC001088763202 790408297 /nfs/dbraw/zinc/40/82/97/790408297.db2.gz UGLGVHJQNHDGGQ-KBXIAJHMSA-N 1 2 354.451 -1.070 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC[N@H+]1CCS(C)(=O)=O ZINC001088763646 790407981 /nfs/dbraw/zinc/40/79/81/790407981.db2.gz RRPKOYLJDMOVSE-WXHSDQCUSA-N 1 2 369.447 -1.011 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC[N@@H+]1CCS(C)(=O)=O ZINC001088763646 790407977 /nfs/dbraw/zinc/40/79/77/790407977.db2.gz RRPKOYLJDMOVSE-WXHSDQCUSA-N 1 2 369.447 -1.011 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CCN1Cc1c[nH+]cn1C ZINC001088765151 790409438 /nfs/dbraw/zinc/40/94/38/790409438.db2.gz QQFGMMXAFIRTQR-WXHSDQCUSA-N 1 2 369.447 -1.588 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)CN2CCNC(=O)C2)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001088792499 790409119 /nfs/dbraw/zinc/40/91/19/790409119.db2.gz QVGMXTHVCWVARN-MNOVXSKESA-N 1 2 351.411 -2.381 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)CN2CCNC(=O)C2)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001088792499 790409112 /nfs/dbraw/zinc/40/91/12/790409112.db2.gz QVGMXTHVCWVARN-MNOVXSKESA-N 1 2 351.411 -2.381 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC2=O)CC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088793504 790409477 /nfs/dbraw/zinc/40/94/77/790409477.db2.gz JEOYJRHVPNMLPG-UTUOFQBUSA-N 1 2 351.407 -2.340 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC2=O)CC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088793504 790409471 /nfs/dbraw/zinc/40/94/71/790409471.db2.gz JEOYJRHVPNMLPG-UTUOFQBUSA-N 1 2 351.407 -2.340 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2CCNC2=O)CC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088793505 790409365 /nfs/dbraw/zinc/40/93/65/790409365.db2.gz JEOYJRHVPNMLPG-WOPDTQHZSA-N 1 2 351.407 -2.340 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2CCNC2=O)CC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088793505 790409359 /nfs/dbraw/zinc/40/93/59/790409359.db2.gz JEOYJRHVPNMLPG-WOPDTQHZSA-N 1 2 351.407 -2.340 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088800458 790409945 /nfs/dbraw/zinc/40/99/45/790409945.db2.gz CLNQENGAAZOCSX-ZJUUUORDSA-N 1 2 350.383 -2.639 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088800458 790409938 /nfs/dbraw/zinc/40/99/38/790409938.db2.gz CLNQENGAAZOCSX-ZJUUUORDSA-N 1 2 350.383 -2.639 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@H+]1CC(=O)NC1CCOCC1 ZINC001088800899 790410712 /nfs/dbraw/zinc/41/07/12/790410712.db2.gz YGYRJHATVGPBDE-PWSUYJOCSA-N 1 2 351.411 -1.302 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@@H+]1CC(=O)NC1CCOCC1 ZINC001088800899 790410706 /nfs/dbraw/zinc/41/07/06/790410706.db2.gz YGYRJHATVGPBDE-PWSUYJOCSA-N 1 2 351.411 -1.302 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@H+]1CC(=O)N1CCO[C@@H](C)C1 ZINC001088801088 790410815 /nfs/dbraw/zinc/41/08/15/790410815.db2.gz IVAUJXDJWGUKMC-TUAOUCFPSA-N 1 2 351.411 -1.350 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@@H+]1CC(=O)N1CCO[C@@H](C)C1 ZINC001088801088 790410810 /nfs/dbraw/zinc/41/08/10/790410810.db2.gz IVAUJXDJWGUKMC-TUAOUCFPSA-N 1 2 351.411 -1.350 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@H+]1CC(=O)N1CCO[C@H](C)C1 ZINC001088801089 790410845 /nfs/dbraw/zinc/41/08/45/790410845.db2.gz IVAUJXDJWGUKMC-UTUOFQBUSA-N 1 2 351.411 -1.350 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@@H+]1CC(=O)N1CCO[C@H](C)C1 ZINC001088801089 790410839 /nfs/dbraw/zinc/41/08/39/790410839.db2.gz IVAUJXDJWGUKMC-UTUOFQBUSA-N 1 2 351.411 -1.350 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088803964 790410996 /nfs/dbraw/zinc/41/09/96/790410996.db2.gz CQEFMXFTHFXBKN-WSGDXGOYSA-N 1 2 350.419 -1.584 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088803964 790410989 /nfs/dbraw/zinc/41/09/89/790410989.db2.gz CQEFMXFTHFXBKN-WSGDXGOYSA-N 1 2 350.419 -1.584 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)c2csc(=O)[nH]2)CC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088806004 790410594 /nfs/dbraw/zinc/41/05/94/790410594.db2.gz KNEUQIKOPZTLTJ-ZJUUUORDSA-N 1 2 367.431 -1.000 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)c2csc(=O)[nH]2)CC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088806004 790410587 /nfs/dbraw/zinc/41/05/87/790410587.db2.gz KNEUQIKOPZTLTJ-ZJUUUORDSA-N 1 2 367.431 -1.000 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@@]2(F)CCOC2)CC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088816392 790410627 /nfs/dbraw/zinc/41/06/27/790410627.db2.gz AFGGTQDACMDTLD-BFQNTYOBSA-N 1 2 356.398 -1.348 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@@]2(F)CCOC2)CC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088816392 790410623 /nfs/dbraw/zinc/41/06/23/790410623.db2.gz AFGGTQDACMDTLD-BFQNTYOBSA-N 1 2 356.398 -1.348 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@]2(F)CCOC2)CC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088816393 790411035 /nfs/dbraw/zinc/41/10/35/790411035.db2.gz AFGGTQDACMDTLD-WQGACYEGSA-N 1 2 356.398 -1.348 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@]2(F)CCOC2)CC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088816393 790411029 /nfs/dbraw/zinc/41/10/29/790411029.db2.gz AFGGTQDACMDTLD-WQGACYEGSA-N 1 2 356.398 -1.348 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088828727 790411786 /nfs/dbraw/zinc/41/17/86/790411786.db2.gz RZCPKLQEWKHOGQ-OUAUKWLOSA-N 1 2 352.395 -2.795 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088828727 790411780 /nfs/dbraw/zinc/41/17/80/790411780.db2.gz RZCPKLQEWKHOGQ-OUAUKWLOSA-N 1 2 352.395 -2.795 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088828728 790412155 /nfs/dbraw/zinc/41/21/55/790412155.db2.gz RZCPKLQEWKHOGQ-VWYCJHECSA-N 1 2 352.395 -2.795 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088828728 790412151 /nfs/dbraw/zinc/41/21/51/790412151.db2.gz RZCPKLQEWKHOGQ-VWYCJHECSA-N 1 2 352.395 -2.795 20 0 FAADLO CC(=O)N1CCC(NC(=O)C[N@@H+]2CC[C@H](NC(=O)C(N)=O)[C@H]2C)CC1 ZINC001088831496 790413211 /nfs/dbraw/zinc/41/32/11/790413211.db2.gz OTGVBUMTVPFWFO-MFKMUULPSA-N 1 2 353.423 -1.822 20 0 FAADLO CC(=O)N1CCC(NC(=O)C[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@H]2C)CC1 ZINC001088831496 790413203 /nfs/dbraw/zinc/41/32/03/790413203.db2.gz OTGVBUMTVPFWFO-MFKMUULPSA-N 1 2 353.423 -1.822 20 0 FAADLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](NC(=O)C(N)=O)[C@H]2C)C1 ZINC001088831591 790413254 /nfs/dbraw/zinc/41/32/54/790413254.db2.gz UUDGWVOYDAGUAQ-RTXFEEFZSA-N 1 2 353.423 -1.822 20 0 FAADLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@H]2C)C1 ZINC001088831591 790413249 /nfs/dbraw/zinc/41/32/49/790413249.db2.gz UUDGWVOYDAGUAQ-RTXFEEFZSA-N 1 2 353.423 -1.822 20 0 FAADLO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](NC(=O)C(N)=O)[C@H]2C)C1 ZINC001088831592 790413366 /nfs/dbraw/zinc/41/33/66/790413366.db2.gz UUDGWVOYDAGUAQ-WXHSDQCUSA-N 1 2 353.423 -1.822 20 0 FAADLO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@H]2C)C1 ZINC001088831592 790413358 /nfs/dbraw/zinc/41/33/58/790413358.db2.gz UUDGWVOYDAGUAQ-WXHSDQCUSA-N 1 2 353.423 -1.822 20 0 FAADLO CNC(=O)C1CCN(C(=O)C[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@H]2C)CC1 ZINC001088832274 790412837 /nfs/dbraw/zinc/41/28/37/790412837.db2.gz GOHNMINSDUUBIA-PWSUYJOCSA-N 1 2 353.423 -1.965 20 0 FAADLO CNC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@H](NC(=O)C(N)=O)[C@H]2C)CC1 ZINC001088832274 790412830 /nfs/dbraw/zinc/41/28/30/790412830.db2.gz GOHNMINSDUUBIA-PWSUYJOCSA-N 1 2 353.423 -1.965 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)C2=NC(=O)N(C)C2)CC[N@H+]1CCN1C(=O)CNC1=O ZINC001088838184 790414050 /nfs/dbraw/zinc/41/40/50/790414050.db2.gz VABCEKKIDDNOQF-ZJUUUORDSA-N 1 2 350.379 -1.130 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)C2=NC(=O)N(C)C2)CC[N@@H+]1CCN1C(=O)CNC1=O ZINC001088838184 790414042 /nfs/dbraw/zinc/41/40/42/790414042.db2.gz VABCEKKIDDNOQF-ZJUUUORDSA-N 1 2 350.379 -1.130 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)c2n[nH]cc2F)CC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088841411 790424225 /nfs/dbraw/zinc/42/42/25/790424225.db2.gz DSBIHACGSYFUEN-KOLCDFICSA-N 1 2 352.370 -1.300 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)c2n[nH]cc2F)CC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088841411 790424214 /nfs/dbraw/zinc/42/42/14/790424214.db2.gz DSBIHACGSYFUEN-KOLCDFICSA-N 1 2 352.370 -1.300 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)CC[N@H+]1CC(=O)N(C)C ZINC001088847633 790426457 /nfs/dbraw/zinc/42/64/57/790426457.db2.gz DKVBJODJMGUUQF-SCZZXKLOSA-N 1 2 358.424 -1.662 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)CC[N@@H+]1CC(=O)N(C)C ZINC001088847633 790426448 /nfs/dbraw/zinc/42/64/48/790426448.db2.gz DKVBJODJMGUUQF-SCZZXKLOSA-N 1 2 358.424 -1.662 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)CC[N@H+]1CC(=O)N1CCC1 ZINC001088847763 790425960 /nfs/dbraw/zinc/42/59/60/790425960.db2.gz LPWTXEIRNPNQBY-KOLCDFICSA-N 1 2 370.435 -1.518 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)CC[N@@H+]1CC(=O)N1CCC1 ZINC001088847763 790425954 /nfs/dbraw/zinc/42/59/54/790425954.db2.gz LPWTXEIRNPNQBY-KOLCDFICSA-N 1 2 370.435 -1.518 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)CC[N@H+]1Cc1cnnn1C ZINC001088847815 790426401 /nfs/dbraw/zinc/42/64/01/790426401.db2.gz ODDROOICZFGALZ-KCJUWKMLSA-N 1 2 368.423 -1.422 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)CC[N@@H+]1Cc1cnnn1C ZINC001088847815 790426396 /nfs/dbraw/zinc/42/63/96/790426396.db2.gz ODDROOICZFGALZ-KCJUWKMLSA-N 1 2 368.423 -1.422 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)CC[N@H+]1CC(=O)NC1CC1 ZINC001088847923 790426431 /nfs/dbraw/zinc/42/64/31/790426431.db2.gz UQCGRRYYUCSSSD-KCJUWKMLSA-N 1 2 370.435 -1.472 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)CC[N@@H+]1CC(=O)NC1CC1 ZINC001088847923 790426424 /nfs/dbraw/zinc/42/64/24/790426424.db2.gz UQCGRRYYUCSSSD-KCJUWKMLSA-N 1 2 370.435 -1.472 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001088855340 790426373 /nfs/dbraw/zinc/42/63/73/790426373.db2.gz BQOSGTWHPRQVCN-VPOLOUISSA-N 1 2 352.395 -1.780 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001088855340 790426364 /nfs/dbraw/zinc/42/63/64/790426364.db2.gz BQOSGTWHPRQVCN-VPOLOUISSA-N 1 2 352.395 -1.780 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001088861305 790428013 /nfs/dbraw/zinc/42/80/13/790428013.db2.gz ZOIMIIIHOOVSLF-KXNHARMFSA-N 1 2 350.423 -1.088 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001088861305 790428005 /nfs/dbraw/zinc/42/80/05/790428005.db2.gz ZOIMIIIHOOVSLF-KXNHARMFSA-N 1 2 350.423 -1.088 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088863612 790427700 /nfs/dbraw/zinc/42/77/00/790427700.db2.gz NVMGYOAJVRQACH-WYUUTHIRSA-N 1 2 351.407 -2.355 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088863612 790427698 /nfs/dbraw/zinc/42/76/98/790427698.db2.gz NVMGYOAJVRQACH-WYUUTHIRSA-N 1 2 351.407 -2.355 20 0 FAADLO C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)[C@@H]1C ZINC001088867368 790427782 /nfs/dbraw/zinc/42/77/82/790427782.db2.gz SSVIYWPYIMJOGT-FOCJUVANSA-N 1 2 352.435 -1.051 20 0 FAADLO C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)[C@@H]1C ZINC001088867368 790427778 /nfs/dbraw/zinc/42/77/78/790427778.db2.gz SSVIYWPYIMJOGT-FOCJUVANSA-N 1 2 352.435 -1.051 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001088888710 790429359 /nfs/dbraw/zinc/42/93/59/790429359.db2.gz CQCZXKVEGBGNIZ-VGMNWLOBSA-N 1 2 351.367 -2.215 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001088888710 790429351 /nfs/dbraw/zinc/42/93/51/790429351.db2.gz CQCZXKVEGBGNIZ-VGMNWLOBSA-N 1 2 351.367 -2.215 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)CC[N@H+]1CC(=O)NC1CC1 ZINC001088913375 790429032 /nfs/dbraw/zinc/42/90/32/790429032.db2.gz SNXSXIDANQNIGK-KGYLQXTDSA-N 1 2 358.464 -1.122 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)CC[N@@H+]1CC(=O)NC1CC1 ZINC001088913375 790429027 /nfs/dbraw/zinc/42/90/27/790429027.db2.gz SNXSXIDANQNIGK-KGYLQXTDSA-N 1 2 358.464 -1.122 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)CC[N@H+]1CC(=O)NC1CC1 ZINC001088913376 790428902 /nfs/dbraw/zinc/42/89/02/790428902.db2.gz SNXSXIDANQNIGK-WXHSDQCUSA-N 1 2 358.464 -1.122 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)CC[N@@H+]1CC(=O)NC1CC1 ZINC001088913376 790428894 /nfs/dbraw/zinc/42/88/94/790428894.db2.gz SNXSXIDANQNIGK-WXHSDQCUSA-N 1 2 358.464 -1.122 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)CC[N@H+]1CC(=O)N1CCC1 ZINC001088913706 790429163 /nfs/dbraw/zinc/42/91/63/790429163.db2.gz LUZQPZLNRZORCH-AGIUHOORSA-N 1 2 358.464 -1.168 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)CC[N@@H+]1CC(=O)N1CCC1 ZINC001088913706 790429158 /nfs/dbraw/zinc/42/91/58/790429158.db2.gz LUZQPZLNRZORCH-AGIUHOORSA-N 1 2 358.464 -1.168 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)CC[N@H+]1CC(=O)N1CCC1 ZINC001088913707 790429186 /nfs/dbraw/zinc/42/91/86/790429186.db2.gz LUZQPZLNRZORCH-FRRDWIJNSA-N 1 2 358.464 -1.168 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)CC[N@@H+]1CC(=O)N1CCC1 ZINC001088913707 790429183 /nfs/dbraw/zinc/42/91/83/790429183.db2.gz LUZQPZLNRZORCH-FRRDWIJNSA-N 1 2 358.464 -1.168 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)C2CC(=O)NC(=O)C2)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001088918384 790429069 /nfs/dbraw/zinc/42/90/69/790429069.db2.gz XWVXODSVBVTLHN-SCZZXKLOSA-N 1 2 350.379 -1.760 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)C2CC(=O)NC(=O)C2)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001088918384 790429062 /nfs/dbraw/zinc/42/90/62/790429062.db2.gz XWVXODSVBVTLHN-SCZZXKLOSA-N 1 2 350.379 -1.760 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)CN2CC(=O)NC2=O)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001088926377 790431038 /nfs/dbraw/zinc/43/10/38/790431038.db2.gz WNELQGVNXAWRSL-BDAKNGLRSA-N 1 2 351.367 -2.261 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)CN2CC(=O)NC2=O)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001088926377 790431031 /nfs/dbraw/zinc/43/10/31/790431031.db2.gz WNELQGVNXAWRSL-BDAKNGLRSA-N 1 2 351.367 -2.261 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)c2nc[nH]n2)CC[N@H+]1C[C@@H](O)CN1C(=O)CCC1=O ZINC001088929995 790431173 /nfs/dbraw/zinc/43/11/73/790431173.db2.gz DCZONTNHCDPYQS-MXWKQRLJSA-N 1 2 350.379 -1.493 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)c2nc[nH]n2)CC[N@@H+]1C[C@@H](O)CN1C(=O)CCC1=O ZINC001088929995 790431169 /nfs/dbraw/zinc/43/11/69/790431169.db2.gz DCZONTNHCDPYQS-MXWKQRLJSA-N 1 2 350.379 -1.493 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)c2ncn[nH]2)CC[N@H+]1C[C@@H](O)CN1C(=O)CCC1=O ZINC001088929995 790431166 /nfs/dbraw/zinc/43/11/66/790431166.db2.gz DCZONTNHCDPYQS-MXWKQRLJSA-N 1 2 350.379 -1.493 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)c2ncn[nH]2)CC[N@@H+]1C[C@@H](O)CN1C(=O)CCC1=O ZINC001088929995 790431162 /nfs/dbraw/zinc/43/11/62/790431162.db2.gz DCZONTNHCDPYQS-MXWKQRLJSA-N 1 2 350.379 -1.493 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)c2nc[nH]n2)CC[N@H+]1C[C@H](O)CN1C(=O)CCC1=O ZINC001088929996 790430728 /nfs/dbraw/zinc/43/07/28/790430728.db2.gz DCZONTNHCDPYQS-VWYCJHECSA-N 1 2 350.379 -1.493 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)c2nc[nH]n2)CC[N@@H+]1C[C@H](O)CN1C(=O)CCC1=O ZINC001088929996 790430723 /nfs/dbraw/zinc/43/07/23/790430723.db2.gz DCZONTNHCDPYQS-VWYCJHECSA-N 1 2 350.379 -1.493 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)c2ncn[nH]2)CC[N@H+]1C[C@H](O)CN1C(=O)CCC1=O ZINC001088929996 790430714 /nfs/dbraw/zinc/43/07/14/790430714.db2.gz DCZONTNHCDPYQS-VWYCJHECSA-N 1 2 350.379 -1.493 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)c2ncn[nH]2)CC[N@@H+]1C[C@H](O)CN1C(=O)CCC1=O ZINC001088929996 790430703 /nfs/dbraw/zinc/43/07/03/790430703.db2.gz DCZONTNHCDPYQS-VWYCJHECSA-N 1 2 350.379 -1.493 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@@]2(C)CCOC2)CC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088943274 790429944 /nfs/dbraw/zinc/42/99/44/790429944.db2.gz WYIFIRGVTSTRLK-IGCXYCKISA-N 1 2 352.435 -1.050 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@@]2(C)CCOC2)CC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088943274 790429936 /nfs/dbraw/zinc/42/99/36/790429936.db2.gz WYIFIRGVTSTRLK-IGCXYCKISA-N 1 2 352.435 -1.050 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@]2(C)CCOC2)CC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088943275 790430544 /nfs/dbraw/zinc/43/05/44/790430544.db2.gz WYIFIRGVTSTRLK-IIYDPXPESA-N 1 2 352.435 -1.050 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)[C@]2(C)CCOC2)CC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088943275 790430540 /nfs/dbraw/zinc/43/05/40/790430540.db2.gz WYIFIRGVTSTRLK-IIYDPXPESA-N 1 2 352.435 -1.050 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)CN2CCC(=O)NC2=O)CC[N@H+]1CCS(C)(=O)=O ZINC001088961487 790430470 /nfs/dbraw/zinc/43/04/70/790430470.db2.gz GSDCRJXRJBEKGI-MNOVXSKESA-N 1 2 360.436 -1.448 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)CN2CCC(=O)NC2=O)CC[N@@H+]1CCS(C)(=O)=O ZINC001088961487 790430466 /nfs/dbraw/zinc/43/04/66/790430466.db2.gz GSDCRJXRJBEKGI-MNOVXSKESA-N 1 2 360.436 -1.448 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)Cc2nnc[nH]2)CC[N@H+]1CCN1CCCS1(=O)=O ZINC001088969836 790431120 /nfs/dbraw/zinc/43/11/20/790431120.db2.gz RGHHUPJSQHMQTI-NEPJUHHUSA-N 1 2 356.452 -1.038 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)Cc2nnc[nH]2)CC[N@@H+]1CCN1CCCS1(=O)=O ZINC001088969836 790431116 /nfs/dbraw/zinc/43/11/16/790431116.db2.gz RGHHUPJSQHMQTI-NEPJUHHUSA-N 1 2 356.452 -1.038 20 0 FAADLO C[C@@H]1[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)CC[N@H+]1CCS(C)(=O)=O 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CNS(=O)(=O)NCC(=O)N1CC[C@H]2CN(c3cc[nH+]c(C)n3)C[C@H]21 ZINC001090346296 790577847 /nfs/dbraw/zinc/57/78/47/790577847.db2.gz PANZZQJIHFMEEH-NWDGAFQWSA-N 1 2 354.436 -1.124 20 0 FAADLO C[N@H+]1CCc2ncnc(N3C[C@@H](O)[C@H](NC(=O)CS(C)(=O)=O)C3)c2C1 ZINC001090383103 790580335 /nfs/dbraw/zinc/58/03/35/790580335.db2.gz QDGVFGSBRBPFAU-CHWSQXEVSA-N 1 2 369.447 -1.825 20 0 FAADLO C[N@@H+]1CCc2ncnc(N3C[C@@H](O)[C@H](NC(=O)CS(C)(=O)=O)C3)c2C1 ZINC001090383103 790580327 /nfs/dbraw/zinc/58/03/27/790580327.db2.gz QDGVFGSBRBPFAU-CHWSQXEVSA-N 1 2 369.447 -1.825 20 0 FAADLO Cn1ncc2c1nc[nH+]c2N1C[C@@H](O)[C@H](NC(=O)CS(C)(=O)=O)C1 ZINC001090383689 790581262 /nfs/dbraw/zinc/58/12/62/790581262.db2.gz ZDVKNFIFNZMABF-NXEZZACHSA-N 1 2 354.392 -1.926 20 0 FAADLO COCCOCC(=O)N[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1O ZINC001090404003 790664411 /nfs/dbraw/zinc/66/44/11/790664411.db2.gz FYMHUVIIVPCSBW-VXGBXAGGSA-N 1 2 350.379 -1.308 20 0 FAADLO CNS(=O)(=O)CC(=O)N[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1O ZINC001090432566 790745097 /nfs/dbraw/zinc/74/50/97/790745097.db2.gz GQUFEOJMUOZINZ-NXEZZACHSA-N 1 2 369.407 -2.422 20 0 FAADLO CNS(=O)(=O)CC(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1O ZINC001090432661 790745069 /nfs/dbraw/zinc/74/50/69/790745069.db2.gz IBBZWOOSBILDRG-VXGBXAGGSA-N 1 2 357.436 -1.383 20 0 FAADLO CNS(=O)(=O)CC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1O ZINC001090433765 790744876 /nfs/dbraw/zinc/74/48/76/790744876.db2.gz YOXGBKNQYAJFHK-VXGBXAGGSA-N 1 2 369.447 -1.123 20 0 FAADLO CCS(=O)(=O)CC(=O)N[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1O ZINC001090434897 790746563 /nfs/dbraw/zinc/74/65/63/790746563.db2.gz APJPAZUCVTTZKZ-GHMZBOCLSA-N 1 2 368.419 -1.536 20 0 FAADLO Cc1nc(N2C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)N(C)C)C2)c(C)c(C)[nH+]1 ZINC001090463873 790753705 /nfs/dbraw/zinc/75/37/05/790753705.db2.gz VZYZZDUJXZVTQO-CHWSQXEVSA-N 1 2 371.463 -1.041 20 0 FAADLO COC[C@@H](OC)C(=O)N[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1O ZINC001090527958 790843483 /nfs/dbraw/zinc/84/34/83/790843483.db2.gz IEMROVPECPAPDQ-IJLUTSLNSA-N 1 2 350.379 -1.310 20 0 FAADLO COC[C@H](OC)C(=O)N[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1O ZINC001090527960 790843335 /nfs/dbraw/zinc/84/33/35/790843335.db2.gz IEMROVPECPAPDQ-UTUOFQBUSA-N 1 2 350.379 -1.310 20 0 FAADLO Cc1nc(N2C[C@@H](O)[C@H](NC(=O)CN(C)S(C)(=O)=O)C2)c(C)c(C)[nH+]1 ZINC001090552493 790851837 /nfs/dbraw/zinc/85/18/37/790851837.db2.gz UAHVJEFWPHQKSJ-CHWSQXEVSA-N 1 2 371.463 -1.041 20 0 FAADLO C[C@H](C(=O)N[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1O)S(C)(=O)=O ZINC001090555930 790854020 /nfs/dbraw/zinc/85/40/20/790854020.db2.gz FLJRQKULPYWTRP-FBIMIBRVSA-N 1 2 368.419 -1.538 20 0 FAADLO C[C@@H](C(=O)N[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1O)S(C)(=O)=O ZINC001090555935 790853615 /nfs/dbraw/zinc/85/36/15/790853615.db2.gz FLJRQKULPYWTRP-JMJZKYOTSA-N 1 2 368.419 -1.538 20 0 FAADLO Cn1ncc2c1nc[nH+]c2N1C[C@@H](O)[C@H](NC(=O)CCS(C)(=O)=O)C1 ZINC001090556068 790852720 /nfs/dbraw/zinc/85/27/20/790852720.db2.gz INWJGGVJZVVLGK-GHMZBOCLSA-N 1 2 368.419 -1.536 20 0 FAADLO CNS(=O)(=O)CC(=O)N[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1C ZINC001090718806 790856605 /nfs/dbraw/zinc/85/66/05/790856605.db2.gz RJAXALBWBUVOFS-MWLCHTKSSA-N 1 2 367.435 -1.147 20 0 FAADLO CO[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1NC(=O)CS(C)(=O)=O ZINC001090877452 790859828 /nfs/dbraw/zinc/85/98/28/790859828.db2.gz OLAMXAGOOTUNLP-GHMZBOCLSA-N 1 2 368.419 -1.272 20 0 FAADLO Cn1ncc2c1nc[nH+]c2N1C[C@@H](NC(=O)CS(C)(=O)=O)[C@@H](O)C1 ZINC001091073797 790868457 /nfs/dbraw/zinc/86/84/57/790868457.db2.gz ZDVKNFIFNZMABF-ZJUUUORDSA-N 1 2 354.392 -1.926 20 0 FAADLO C[N@H+]1CCc2ncnc(N3C[C@@H](NC(=O)CS(C)(=O)=O)[C@@H](O)C3)c2C1 ZINC001091074345 790868064 /nfs/dbraw/zinc/86/80/64/790868064.db2.gz QDGVFGSBRBPFAU-OLZOCXBDSA-N 1 2 369.447 -1.825 20 0 FAADLO C[N@@H+]1CCc2ncnc(N3C[C@@H](NC(=O)CS(C)(=O)=O)[C@@H](O)C3)c2C1 ZINC001091074345 790868061 /nfs/dbraw/zinc/86/80/61/790868061.db2.gz QDGVFGSBRBPFAU-OLZOCXBDSA-N 1 2 369.447 -1.825 20 0 FAADLO COCCOCC(=O)N[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@@H]1O ZINC001091078891 790869194 /nfs/dbraw/zinc/86/91/94/790869194.db2.gz FYMHUVIIVPCSBW-NEPJUHHUSA-N 1 2 350.379 -1.308 20 0 FAADLO C[C@@H]1CN(C)C[C@H](C(=O)NCC2CC([NH2+]Cc3nc(=O)n(C)[nH]3)C2)O1 ZINC001091096771 790873183 /nfs/dbraw/zinc/87/31/83/790873183.db2.gz YYPMMJOVEXKHAY-IKWCTNDRSA-N 1 2 352.439 -1.188 20 0 FAADLO CNS(=O)(=O)CC(=O)N[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@@H]1O ZINC001091106534 790870385 /nfs/dbraw/zinc/87/03/85/790870385.db2.gz GQUFEOJMUOZINZ-ZJUUUORDSA-N 1 2 369.407 -2.422 20 0 FAADLO CNS(=O)(=O)CC(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@@H]1O ZINC001091106596 790870601 /nfs/dbraw/zinc/87/06/01/790870601.db2.gz IBBZWOOSBILDRG-NEPJUHHUSA-N 1 2 357.436 -1.383 20 0 FAADLO CNS(=O)(=O)CC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@@H]1O ZINC001091107216 790871437 /nfs/dbraw/zinc/87/14/37/790871437.db2.gz YOXGBKNQYAJFHK-NEPJUHHUSA-N 1 2 369.447 -1.123 20 0 FAADLO CCS(=O)(=O)CC(=O)N[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@@H]1O ZINC001091113431 790871980 /nfs/dbraw/zinc/87/19/80/790871980.db2.gz APJPAZUCVTTZKZ-MNOVXSKESA-N 1 2 368.419 -1.536 20 0 FAADLO Cc1nc(N2C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](O)C2)c(C)c(C)[nH+]1 ZINC001091133498 790873785 /nfs/dbraw/zinc/87/37/85/790873785.db2.gz VZYZZDUJXZVTQO-OLZOCXBDSA-N 1 2 371.463 -1.041 20 0 FAADLO COC[C@@H](OC)C(=O)N[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@@H]1O ZINC001091177295 790878979 /nfs/dbraw/zinc/87/89/79/790878979.db2.gz IEMROVPECPAPDQ-GRYCIOLGSA-N 1 2 350.379 -1.310 20 0 FAADLO COC[C@H](OC)C(=O)N[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@@H]1O ZINC001091177297 790878780 /nfs/dbraw/zinc/87/87/80/790878780.db2.gz IEMROVPECPAPDQ-WOPDTQHZSA-N 1 2 350.379 -1.310 20 0 FAADLO Cc1nc(N2C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H](O)C2)c(C)c(C)[nH+]1 ZINC001091193821 790881679 /nfs/dbraw/zinc/88/16/79/790881679.db2.gz UAHVJEFWPHQKSJ-OLZOCXBDSA-N 1 2 371.463 -1.041 20 0 FAADLO C[C@@H](C(=O)N[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@@H]1O)S(C)(=O)=O ZINC001091196592 790884550 /nfs/dbraw/zinc/88/45/50/790884550.db2.gz FLJRQKULPYWTRP-GDPRMGEGSA-N 1 2 368.419 -1.538 20 0 FAADLO C[C@H](C(=O)N[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@@H]1O)S(C)(=O)=O ZINC001091196595 790884476 /nfs/dbraw/zinc/88/44/76/790884476.db2.gz FLJRQKULPYWTRP-IEBDPFPHSA-N 1 2 368.419 -1.538 20 0 FAADLO Cn1ncc2c1nc[nH+]c2N1C[C@@H](NC(=O)CCS(C)(=O)=O)[C@@H](O)C1 ZINC001091196735 790884729 /nfs/dbraw/zinc/88/47/29/790884729.db2.gz INWJGGVJZVVLGK-MNOVXSKESA-N 1 2 368.419 -1.536 20 0 FAADLO Cn1[nH]c(C[N@H+]2C[C@@H]3CN(C(=O)[C@H]4COCCO4)C[C@]3(C)C2)nc1=O ZINC001091504035 790902986 /nfs/dbraw/zinc/90/29/86/790902986.db2.gz VAHCIEMLCIUXTJ-HSMVNMDESA-N 1 2 351.407 -1.196 20 0 FAADLO Cn1[nH]c(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4COCCO4)C[C@]3(C)C2)nc1=O ZINC001091504035 790902976 /nfs/dbraw/zinc/90/29/76/790902976.db2.gz VAHCIEMLCIUXTJ-HSMVNMDESA-N 1 2 351.407 -1.196 20 0 FAADLO Cn1[nH]c(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H]4COCCO4)C[C@]3(C)C2)nc1=O ZINC001091504036 790903109 /nfs/dbraw/zinc/90/31/09/790903109.db2.gz VAHCIEMLCIUXTJ-WQGACYEGSA-N 1 2 351.407 -1.196 20 0 FAADLO Cn1[nH]c(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H]4COCCO4)C[C@]3(C)C2)nc1=O ZINC001091504036 790903101 /nfs/dbraw/zinc/90/31/01/790903101.db2.gz VAHCIEMLCIUXTJ-WQGACYEGSA-N 1 2 351.407 -1.196 20 0 FAADLO Cn1[nH]c(C[N@H+]2C[C@@H]3CN(C(=O)[C@H]4COC(=O)N4)C[C@]3(C)C2)nc1=O ZINC001091641565 790909617 /nfs/dbraw/zinc/90/96/17/790909617.db2.gz VUMQLPHWQCDWQO-FCHSOHFDSA-N 1 2 350.379 -1.503 20 0 FAADLO Cn1[nH]c(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4COC(=O)N4)C[C@]3(C)C2)nc1=O ZINC001091641565 790909615 /nfs/dbraw/zinc/90/96/15/790909615.db2.gz VUMQLPHWQCDWQO-FCHSOHFDSA-N 1 2 350.379 -1.503 20 0 FAADLO Cn1[nH]c(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H]4COC(=O)N4)C[C@]3(C)C2)nc1=O ZINC001091641566 790909520 /nfs/dbraw/zinc/90/95/20/790909520.db2.gz VUMQLPHWQCDWQO-FTGAXOIBSA-N 1 2 350.379 -1.503 20 0 FAADLO Cn1[nH]c(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H]4COC(=O)N4)C[C@]3(C)C2)nc1=O ZINC001091641566 790909516 /nfs/dbraw/zinc/90/95/16/790909516.db2.gz VUMQLPHWQCDWQO-FTGAXOIBSA-N 1 2 350.379 -1.503 20 0 FAADLO Cn1[nH]c(C[N@H+]2C[C@@H]3CN(C(=O)C(C)(C)C(N)=O)C[C@]3(C)C2)nc1=O ZINC001091757796 790913929 /nfs/dbraw/zinc/91/39/29/790913929.db2.gz YNHSDXHGYHMARV-HWPZZCPQSA-N 1 2 350.423 -1.100 20 0 FAADLO Cn1[nH]c(C[N@@H+]2C[C@@H]3CN(C(=O)C(C)(C)C(N)=O)C[C@]3(C)C2)nc1=O ZINC001091757796 790913920 /nfs/dbraw/zinc/91/39/20/790913920.db2.gz YNHSDXHGYHMARV-HWPZZCPQSA-N 1 2 350.423 -1.100 20 0 FAADLO CNC(=O)Cc1noc(C[N@H+]2C[C@@H]3CN(C(=O)C(N)=O)C[C@]3(C)C2)n1 ZINC001091971549 790924572 /nfs/dbraw/zinc/92/45/72/790924572.db2.gz GAECIWYTAYWUGW-PSLIRLAXSA-N 1 2 350.379 -1.876 20 0 FAADLO CNC(=O)Cc1noc(C[N@@H+]2C[C@@H]3CN(C(=O)C(N)=O)C[C@]3(C)C2)n1 ZINC001091971549 790924565 /nfs/dbraw/zinc/92/45/65/790924565.db2.gz GAECIWYTAYWUGW-PSLIRLAXSA-N 1 2 350.379 -1.876 20 0 FAADLO CNS(=O)(=O)CC(=O)N[C@H]1CCN(c2[nH+]cnc3c2cnn3C)[C@@H]1C ZINC001091975908 790924488 /nfs/dbraw/zinc/92/44/88/790924488.db2.gz OTNAUXSWXWYUES-KOLCDFICSA-N 1 2 367.435 -1.004 20 0 FAADLO Cn1ncnc1C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@]2(C)C1 ZINC001092281626 790928523 /nfs/dbraw/zinc/92/85/23/790928523.db2.gz AEZMULOABUCYKQ-JMSVASOKSA-N 1 2 368.463 -1.213 20 0 FAADLO Cn1ncnc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@]2(C)C1 ZINC001092281626 790928517 /nfs/dbraw/zinc/92/85/17/790928517.db2.gz AEZMULOABUCYKQ-JMSVASOKSA-N 1 2 368.463 -1.213 20 0 FAADLO Cn1ncnc1C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@]2(C)C1 ZINC001092281627 790928098 /nfs/dbraw/zinc/92/80/98/790928098.db2.gz AEZMULOABUCYKQ-XUJVJEKNSA-N 1 2 368.463 -1.213 20 0 FAADLO Cn1ncnc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@]2(C)C1 ZINC001092281627 790928088 /nfs/dbraw/zinc/92/80/88/790928088.db2.gz AEZMULOABUCYKQ-XUJVJEKNSA-N 1 2 368.463 -1.213 20 0 FAADLO Cn1cnnc1C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@]2(C)C1 ZINC001092281632 790928748 /nfs/dbraw/zinc/92/87/48/790928748.db2.gz AJPRUDROOVAUAZ-JMSVASOKSA-N 1 2 368.463 -1.213 20 0 FAADLO Cn1cnnc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@]2(C)C1 ZINC001092281632 790928745 /nfs/dbraw/zinc/92/87/45/790928745.db2.gz AJPRUDROOVAUAZ-JMSVASOKSA-N 1 2 368.463 -1.213 20 0 FAADLO Cn1cnnc1C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@]2(C)C1 ZINC001092281633 790928384 /nfs/dbraw/zinc/92/83/84/790928384.db2.gz AJPRUDROOVAUAZ-XUJVJEKNSA-N 1 2 368.463 -1.213 20 0 FAADLO Cn1cnnc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@]2(C)C1 ZINC001092281633 790928378 /nfs/dbraw/zinc/92/83/78/790928378.db2.gz AJPRUDROOVAUAZ-XUJVJEKNSA-N 1 2 368.463 -1.213 20 0 FAADLO Cn1nnnc1C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@]2(C)C1 ZINC001092282102 790928503 /nfs/dbraw/zinc/92/85/03/790928503.db2.gz KOXKNQNWQNBQPY-GYSYKLTISA-N 1 2 369.451 -1.818 20 0 FAADLO Cn1nnnc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@]2(C)C1 ZINC001092282102 790928497 /nfs/dbraw/zinc/92/84/97/790928497.db2.gz KOXKNQNWQNBQPY-GYSYKLTISA-N 1 2 369.451 -1.818 20 0 FAADLO Cn1nnnc1C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@]2(C)C1 ZINC001092282103 790928715 /nfs/dbraw/zinc/92/87/15/790928715.db2.gz KOXKNQNWQNBQPY-SUNKGSAMSA-N 1 2 369.451 -1.818 20 0 FAADLO Cn1nnnc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@]2(C)C1 ZINC001092282103 790928709 /nfs/dbraw/zinc/92/87/09/790928709.db2.gz KOXKNQNWQNBQPY-SUNKGSAMSA-N 1 2 369.451 -1.818 20 0 FAADLO Cn1ncc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H]4CCS(=O)(=O)N4)C[C@]3(C)C2)n1 ZINC001092282288 790928540 /nfs/dbraw/zinc/92/85/40/790928540.db2.gz NCHWWONTDHMORQ-KYOSRNDESA-N 1 2 368.463 -1.213 20 0 FAADLO Cn1ncc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4CCS(=O)(=O)N4)C[C@]3(C)C2)n1 ZINC001092282288 790928537 /nfs/dbraw/zinc/92/85/37/790928537.db2.gz NCHWWONTDHMORQ-KYOSRNDESA-N 1 2 368.463 -1.213 20 0 FAADLO Cn1ncc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H]4CCS(=O)(=O)N4)C[C@]3(C)C2)n1 ZINC001092282289 790928125 /nfs/dbraw/zinc/92/81/25/790928125.db2.gz NCHWWONTDHMORQ-ZLDLUXBVSA-N 1 2 368.463 -1.213 20 0 FAADLO Cn1ncc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H]4CCS(=O)(=O)N4)C[C@]3(C)C2)n1 ZINC001092282289 790928115 /nfs/dbraw/zinc/92/81/15/790928115.db2.gz NCHWWONTDHMORQ-ZLDLUXBVSA-N 1 2 368.463 -1.213 20 0 FAADLO C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001092521695 790930241 /nfs/dbraw/zinc/93/02/41/790930241.db2.gz BJVNJUIHCYQQEY-JHJVBQTASA-N 1 2 352.439 -1.377 20 0 FAADLO C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001092521695 790930233 /nfs/dbraw/zinc/93/02/33/790930233.db2.gz BJVNJUIHCYQQEY-JHJVBQTASA-N 1 2 352.439 -1.377 20 0 FAADLO C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001092521696 790930585 /nfs/dbraw/zinc/93/05/85/790930585.db2.gz BJVNJUIHCYQQEY-UPJWGTAASA-N 1 2 352.439 -1.377 20 0 FAADLO C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001092521696 790930578 /nfs/dbraw/zinc/93/05/78/790930578.db2.gz BJVNJUIHCYQQEY-UPJWGTAASA-N 1 2 352.439 -1.377 20 0 FAADLO CC(=O)NCC(=O)N1CCN(c2cc[nH+]c(C)n2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001092779389 790931115 /nfs/dbraw/zinc/93/11/15/790931115.db2.gz ROLYXNHBIXJPCE-QWHCGFSZSA-N 1 2 367.431 -1.265 20 0 FAADLO Cc1nc(N2CCN(C(=O)CNC(N)=O)[C@@H]3CS(=O)(=O)C[C@@H]32)cc[nH+]1 ZINC001092781341 790931250 /nfs/dbraw/zinc/93/12/50/790931250.db2.gz VCMOSYXRZYKVBD-WDEREUQCSA-N 1 2 368.419 -1.732 20 0 FAADLO CNC(=O)CC(=O)N1CCN(c2cc[nH+]c(C)n2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001092783109 790933008 /nfs/dbraw/zinc/93/30/08/790933008.db2.gz IXFFZIZNWMOUCV-NWDGAFQWSA-N 1 2 367.431 -1.265 20 0 FAADLO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)[C@H](C)C1 ZINC001092848377 790932617 /nfs/dbraw/zinc/93/26/17/790932617.db2.gz ZNOVOCGAJSRUDY-MXWKQRLJSA-N 1 2 360.436 -2.670 20 0 FAADLO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)[C@H](C)C1 ZINC001092848377 790932609 /nfs/dbraw/zinc/93/26/09/790932609.db2.gz ZNOVOCGAJSRUDY-MXWKQRLJSA-N 1 2 360.436 -2.670 20 0 FAADLO CCCn1nnnc1C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CNC(=O)N2)[C@H](C)C1 ZINC001092927660 790933890 /nfs/dbraw/zinc/93/38/90/790933890.db2.gz WFZFHPHGOKJXNB-IJLUTSLNSA-N 1 2 350.427 -1.051 20 0 FAADLO CCCn1nnnc1C[N@H+]1C[C@@H](CNC(=O)[C@H]2CNC(=O)N2)[C@H](C)C1 ZINC001092927660 790933885 /nfs/dbraw/zinc/93/38/85/790933885.db2.gz WFZFHPHGOKJXNB-IJLUTSLNSA-N 1 2 350.427 -1.051 20 0 FAADLO CCCn1nnnc1C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)[C@H](C)C1 ZINC001092927661 790934078 /nfs/dbraw/zinc/93/40/78/790934078.db2.gz WFZFHPHGOKJXNB-UTUOFQBUSA-N 1 2 350.427 -1.051 20 0 FAADLO CCCn1nnnc1C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)[C@H](C)C1 ZINC001092927661 790934068 /nfs/dbraw/zinc/93/40/68/790934068.db2.gz WFZFHPHGOKJXNB-UTUOFQBUSA-N 1 2 350.427 -1.051 20 0 FAADLO C[C@@H]1C[N@@H+](CC(=O)Nc2nncs2)C[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001092927770 790934322 /nfs/dbraw/zinc/93/43/22/790934322.db2.gz AQVAJCLZKPJWIC-BBBLOLIVSA-N 1 2 367.435 -1.158 20 0 FAADLO C[C@@H]1C[N@H+](CC(=O)Nc2nncs2)C[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001092927770 790934313 /nfs/dbraw/zinc/93/43/13/790934313.db2.gz AQVAJCLZKPJWIC-BBBLOLIVSA-N 1 2 367.435 -1.158 20 0 FAADLO C[C@@H]1C[N@@H+](CC(=O)Nc2nncs2)C[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001092927771 790934018 /nfs/dbraw/zinc/93/40/18/790934018.db2.gz AQVAJCLZKPJWIC-OPRDCNLKSA-N 1 2 367.435 -1.158 20 0 FAADLO C[C@@H]1C[N@H+](CC(=O)Nc2nncs2)C[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001092927771 790933996 /nfs/dbraw/zinc/93/39/96/790933996.db2.gz AQVAJCLZKPJWIC-OPRDCNLKSA-N 1 2 367.435 -1.158 20 0 FAADLO C[C@@H]1C[N@@H+](Cc2cnon2)C[C@H]1CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001092954407 790934537 /nfs/dbraw/zinc/93/45/37/790934537.db2.gz YIQQGMUWJNFPGD-RKDXNWHRSA-N 1 2 369.407 -1.062 20 0 FAADLO C[C@@H]1C[N@H+](Cc2cnon2)C[C@H]1CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001092954407 790934530 /nfs/dbraw/zinc/93/45/30/790934530.db2.gz YIQQGMUWJNFPGD-RKDXNWHRSA-N 1 2 369.407 -1.062 20 0 FAADLO C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001092964376 790933620 /nfs/dbraw/zinc/93/36/20/790933620.db2.gz HNTCGAGBMBDZCP-WISYIIOYSA-N 1 2 351.411 -1.573 20 0 FAADLO C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001092964376 790933609 /nfs/dbraw/zinc/93/36/09/790933609.db2.gz HNTCGAGBMBDZCP-WISYIIOYSA-N 1 2 351.411 -1.573 20 0 FAADLO C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001093011966 790935969 /nfs/dbraw/zinc/93/59/69/790935969.db2.gz VCNKDQZPZVGQTH-BBBLOLIVSA-N 1 2 350.383 -2.008 20 0 FAADLO C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001093011966 790935961 /nfs/dbraw/zinc/93/59/61/790935961.db2.gz VCNKDQZPZVGQTH-BBBLOLIVSA-N 1 2 350.383 -2.008 20 0 FAADLO C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001093044598 790935552 /nfs/dbraw/zinc/93/55/52/790935552.db2.gz KPDCHTPMVKOQJM-IJLUTSLNSA-N 1 2 371.467 -1.572 20 0 FAADLO C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001093044598 790935545 /nfs/dbraw/zinc/93/55/45/790935545.db2.gz KPDCHTPMVKOQJM-IJLUTSLNSA-N 1 2 371.467 -1.572 20 0 FAADLO C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001093044601 790935746 /nfs/dbraw/zinc/93/57/46/790935746.db2.gz KPDCHTPMVKOQJM-UTUOFQBUSA-N 1 2 371.467 -1.572 20 0 FAADLO C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001093044601 790935739 /nfs/dbraw/zinc/93/57/39/790935739.db2.gz KPDCHTPMVKOQJM-UTUOFQBUSA-N 1 2 371.467 -1.572 20 0 FAADLO C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001093203679 790936881 /nfs/dbraw/zinc/93/68/81/790936881.db2.gz VNYXSAJQXUMKIX-GMTAPVOTSA-N 1 2 357.440 -1.914 20 0 FAADLO C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001093203679 790936874 /nfs/dbraw/zinc/93/68/74/790936874.db2.gz VNYXSAJQXUMKIX-GMTAPVOTSA-N 1 2 357.440 -1.914 20 0 FAADLO C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001093203680 790937501 /nfs/dbraw/zinc/93/75/01/790937501.db2.gz VNYXSAJQXUMKIX-MXWKQRLJSA-N 1 2 357.440 -1.914 20 0 FAADLO C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001093203680 790937493 /nfs/dbraw/zinc/93/74/93/790937493.db2.gz VNYXSAJQXUMKIX-MXWKQRLJSA-N 1 2 357.440 -1.914 20 0 FAADLO C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CNC(=O)[C@@H]1CCCN1C(N)=O ZINC001093253717 790938310 /nfs/dbraw/zinc/93/83/10/790938310.db2.gz PNVGZDPRZULBBQ-UTUOFQBUSA-N 1 2 350.427 -1.063 20 0 FAADLO C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CNC(=O)[C@@H]1CCCN1C(N)=O ZINC001093253717 790938300 /nfs/dbraw/zinc/93/83/00/790938300.db2.gz PNVGZDPRZULBBQ-UTUOFQBUSA-N 1 2 350.427 -1.063 20 0 FAADLO CC(C)[C@@H]1N(C(=O)C(N)=O)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1nnn(C)n1)C2 ZINC001093460958 790939806 /nfs/dbraw/zinc/93/98/06/790939806.db2.gz AWEFXSJSMYVSMW-DSKWVYQCSA-N 1 2 351.411 -1.839 20 0 FAADLO CC(C)[C@@H]1N(C(=O)C(N)=O)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1nnn(C)n1)C2 ZINC001093460959 790939817 /nfs/dbraw/zinc/93/98/17/790939817.db2.gz AWEFXSJSMYVSMW-FCIGDQIPSA-N 1 2 351.411 -1.839 20 0 FAADLO CC(C)[C@H]1N(C(=O)C(N)=O)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1nnn(C)n1)C2 ZINC001093460960 790939270 /nfs/dbraw/zinc/93/92/70/790939270.db2.gz AWEFXSJSMYVSMW-NDLNZWKESA-N 1 2 351.411 -1.839 20 0 FAADLO CC(C)[C@H]1N(C(=O)C(N)=O)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1nnn(C)n1)C2 ZINC001093460961 790939866 /nfs/dbraw/zinc/93/98/66/790939866.db2.gz AWEFXSJSMYVSMW-NOBRSGAKSA-N 1 2 351.411 -1.839 20 0 FAADLO CC(C)[C@H]1N(C(=O)Cc2ncn[nH]2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001093471363 790940999 /nfs/dbraw/zinc/94/09/99/790940999.db2.gz DLCWEZRBTNWYSK-HOJOPBEUSA-N 1 2 350.423 -1.201 20 0 FAADLO CC(C)[C@@H]1N(C(=O)Cc2ncn[nH]2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001093471364 790940981 /nfs/dbraw/zinc/94/09/81/790940981.db2.gz DLCWEZRBTNWYSK-NSLUBLRVSA-N 1 2 350.423 -1.201 20 0 FAADLO CC(C)[C@H]1N(C(=O)Cc2ncn[nH]2)C[C@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001093471365 790940715 /nfs/dbraw/zinc/94/07/15/790940715.db2.gz DLCWEZRBTNWYSK-WVATUKLVSA-N 1 2 350.423 -1.201 20 0 FAADLO CC(C)[C@@H]1N(C(=O)Cc2ncn[nH]2)C[C@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001093471366 790940483 /nfs/dbraw/zinc/94/04/83/790940483.db2.gz DLCWEZRBTNWYSK-XYPYXGAPSA-N 1 2 350.423 -1.201 20 0 FAADLO O=C(NCc1cn(C2C[NH+](CCO)C2)nn1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001094307761 790947085 /nfs/dbraw/zinc/94/70/85/790947085.db2.gz SCZITJVGHNZWPV-TUKIKUTGSA-N 1 2 351.407 -1.205 20 0 FAADLO COCC[NH+]1CC(n2cc(CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)nn2)C1 ZINC001094319136 790946725 /nfs/dbraw/zinc/94/67/25/790946725.db2.gz SANUWYDHYYUWHQ-QWHCGFSZSA-N 1 2 352.395 -1.570 20 0 FAADLO Cn1c[nH+]cc1CN1CCN(C(=O)CC(N)=O)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094616242 790965976 /nfs/dbraw/zinc/96/59/76/790965976.db2.gz XZRTWHFEUILBEP-NWDGAFQWSA-N 1 2 355.420 -1.895 20 0 FAADLO CNC(=O)CN1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094629200 790952074 /nfs/dbraw/zinc/95/20/74/790952074.db2.gz CXNDYRIJKOFMCG-NWDGAFQWSA-N 1 2 369.447 -1.602 20 0 FAADLO NC(=O)CN1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094629457 790952001 /nfs/dbraw/zinc/95/20/01/790952001.db2.gz KPQKORQHQYDLQX-WDEREUQCSA-N 1 2 355.420 -1.863 20 0 FAADLO C[N@@H+](CC(=O)N1CCN(CC(N)=O)[C@H]2CS(=O)(=O)C[C@H]21)C1CCC1 ZINC001094636902 790956654 /nfs/dbraw/zinc/95/66/54/790956654.db2.gz FAKGNSFUTBMYCK-QWHCGFSZSA-N 1 2 358.464 -1.734 20 0 FAADLO C[N@H+](CC(=O)N1CCN(CC(N)=O)[C@H]2CS(=O)(=O)C[C@H]21)C1CCC1 ZINC001094636902 790956644 /nfs/dbraw/zinc/95/66/44/790956644.db2.gz FAKGNSFUTBMYCK-QWHCGFSZSA-N 1 2 358.464 -1.734 20 0 FAADLO CNC(=O)CN1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094637011 790956270 /nfs/dbraw/zinc/95/62/70/790956270.db2.gz HUUFSOPLIFQQNP-QWHCGFSZSA-N 1 2 369.447 -1.602 20 0 FAADLO CNC(=O)CN1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094637011 790956255 /nfs/dbraw/zinc/95/62/55/790956255.db2.gz HUUFSOPLIFQQNP-QWHCGFSZSA-N 1 2 369.447 -1.602 20 0 FAADLO NC(=O)CN1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094637140 790956328 /nfs/dbraw/zinc/95/63/28/790956328.db2.gz LWIRWTJOVQBGNN-NWDGAFQWSA-N 1 2 355.420 -1.863 20 0 FAADLO NC(=O)CN1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094637140 790956317 /nfs/dbraw/zinc/95/63/17/790956317.db2.gz LWIRWTJOVQBGNN-NWDGAFQWSA-N 1 2 355.420 -1.863 20 0 FAADLO NC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094637955 790957266 /nfs/dbraw/zinc/95/72/66/790957266.db2.gz HOLIYJUAOKVNGL-VCDKRKBESA-N 1 2 367.431 -1.692 20 0 FAADLO NC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094637955 790957258 /nfs/dbraw/zinc/95/72/58/790957258.db2.gz HOLIYJUAOKVNGL-VCDKRKBESA-N 1 2 367.431 -1.692 20 0 FAADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCN(CCO)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094637976 790957303 /nfs/dbraw/zinc/95/73/03/790957303.db2.gz JATCAMBVRYCRFE-MHDGFBEUSA-N 1 2 354.432 -1.185 20 0 FAADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCN(CCO)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094637976 790957298 /nfs/dbraw/zinc/95/72/98/790957298.db2.gz JATCAMBVRYCRFE-MHDGFBEUSA-N 1 2 354.432 -1.185 20 0 FAADLO CC[C@H](C(=O)N1CCN(CC(=O)NC)[C@H]2CS(=O)(=O)C[C@H]21)[NH+](C)C ZINC001094640366 790979602 /nfs/dbraw/zinc/97/96/02/790979602.db2.gz GIDQIRARQLVTMV-FRRDWIJNSA-N 1 2 360.480 -1.618 20 0 FAADLO COc1cc[nH+]cc1CC(=O)N1CCN(CCO)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094640439 790979535 /nfs/dbraw/zinc/97/95/35/790979535.db2.gz KKJWNAIUDNLXTF-UONOGXRCSA-N 1 2 369.443 -1.065 20 0 FAADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CCN(CCO)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094641059 790979236 /nfs/dbraw/zinc/97/92/36/790979236.db2.gz BTDGEDWHBDKVHT-AEGPPILISA-N 1 2 368.459 -1.252 20 0 FAADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCN(CCO)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094641062 790979451 /nfs/dbraw/zinc/97/94/51/790979451.db2.gz BTDGEDWHBDKVHT-VHDGCEQUSA-N 1 2 368.459 -1.252 20 0 FAADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCN(CCO)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094641453 790980200 /nfs/dbraw/zinc/98/02/00/790980200.db2.gz KAKQEPWFRCDBSS-HZSPNIEDSA-N 1 2 368.459 -1.252 20 0 FAADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCN(CCO)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094641454 790980407 /nfs/dbraw/zinc/98/04/07/790980407.db2.gz KAKQEPWFRCDBSS-MELADBBJSA-N 1 2 368.459 -1.252 20 0 FAADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCN(CCO)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094641510 790980012 /nfs/dbraw/zinc/98/00/12/790980012.db2.gz LMXJIIFBJZFZBE-HZSPNIEDSA-N 1 2 368.459 -1.252 20 0 FAADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CCN(CCO)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094641511 790980253 /nfs/dbraw/zinc/98/02/53/790980253.db2.gz LMXJIIFBJZFZBE-MELADBBJSA-N 1 2 368.459 -1.252 20 0 FAADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CCN(CCO)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094641526 790980273 /nfs/dbraw/zinc/98/02/73/790980273.db2.gz MEAZOZBBLJZIKB-AEGPPILISA-N 1 2 368.459 -1.252 20 0 FAADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCN(CCO)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094641527 790980212 /nfs/dbraw/zinc/98/02/12/790980212.db2.gz MEAZOZBBLJZIKB-VHDGCEQUSA-N 1 2 368.459 -1.252 20 0 FAADLO Cn1c[nH+]cc1CN1CCN(C(=O)c2cn[nH]n2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094642774 790981711 /nfs/dbraw/zinc/98/17/11/790981711.db2.gz TZMRSSKEPVUYOF-QWHCGFSZSA-N 1 2 365.419 -1.338 20 0 FAADLO NC(=O)CN1CCN(C(=O)CCn2cc[nH+]c2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094649870 790985309 /nfs/dbraw/zinc/98/53/09/790985309.db2.gz PGYYDTIRLZXOKU-NWDGAFQWSA-N 1 2 355.420 -1.932 20 0 FAADLO CNC(=O)CN1CCN(C(=O)CCn2cc[nH+]c2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094649879 790985776 /nfs/dbraw/zinc/98/57/76/790985776.db2.gz PMYCATZRXVYNFQ-QWHCGFSZSA-N 1 2 369.447 -1.671 20 0 FAADLO Cn1cc[nH+]c1CCC(=O)N1CCN(CC(N)=O)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094650546 790985628 /nfs/dbraw/zinc/98/56/28/790985628.db2.gz WZSGGZOAKCLURW-NWDGAFQWSA-N 1 2 369.447 -1.852 20 0 FAADLO Cn1cc[nH+]c1CCC(=O)N1CCN(CCO)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094650609 790985404 /nfs/dbraw/zinc/98/54/04/790985404.db2.gz YATYIHPBROZHFG-QWHCGFSZSA-N 1 2 356.448 -1.345 20 0 FAADLO O=C(CCn1cc[nH+]c1)N1CCN(CCCO)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094650956 790985703 /nfs/dbraw/zinc/98/57/03/790985703.db2.gz ALRIGVGSEXFQAD-UONOGXRCSA-N 1 2 356.448 -1.035 20 0 FAADLO C[C@@H](O)CN1CCN(C(=O)CCn2cc[nH+]c2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094651006 790985690 /nfs/dbraw/zinc/98/56/90/790985690.db2.gz DEERCLMQIOHNMV-HZSPNIEDSA-N 1 2 356.448 -1.036 20 0 FAADLO C[C@H](O)CN1CCN(C(=O)CCn2cc[nH+]c2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094651007 790985741 /nfs/dbraw/zinc/98/57/41/790985741.db2.gz DEERCLMQIOHNMV-MELADBBJSA-N 1 2 356.448 -1.036 20 0 FAADLO COc1cc[nH+]c(CN2CCN(C(=O)C(N)=O)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC001094657309 790990706 /nfs/dbraw/zinc/99/07/06/790990706.db2.gz SGSPLKRBRIIWMJ-QWHCGFSZSA-N 1 2 368.415 -1.615 20 0 FAADLO CC[C@@H](C(=O)N1CCN(CC(=O)NC)[C@H]2CS(=O)(=O)C[C@H]21)[NH+](C)C ZINC001094659582 790969807 /nfs/dbraw/zinc/96/98/07/790969807.db2.gz GIDQIRARQLVTMV-RWMBFGLXSA-N 1 2 360.480 -1.618 20 0 FAADLO C[C@@H]1CC[N@@H+](CC(=O)N2CCN(CC(N)=O)[C@H]3CS(=O)(=O)C[C@H]32)C1 ZINC001094659957 790969566 /nfs/dbraw/zinc/96/95/66/790969566.db2.gz WKQUTTKETIRRTF-FRRDWIJNSA-N 1 2 358.464 -1.877 20 0 FAADLO C[C@@H]1CC[N@H+](CC(=O)N2CCN(CC(N)=O)[C@H]3CS(=O)(=O)C[C@H]32)C1 ZINC001094659957 790969560 /nfs/dbraw/zinc/96/95/60/790969560.db2.gz WKQUTTKETIRRTF-FRRDWIJNSA-N 1 2 358.464 -1.877 20 0 FAADLO C[C@H]1CC[N@@H+](CC(=O)N2CCN(CC(N)=O)[C@H]3CS(=O)(=O)C[C@H]32)C1 ZINC001094659958 790969842 /nfs/dbraw/zinc/96/98/42/790969842.db2.gz WKQUTTKETIRRTF-RWMBFGLXSA-N 1 2 358.464 -1.877 20 0 FAADLO C[C@H]1CC[N@H+](CC(=O)N2CCN(CC(N)=O)[C@H]3CS(=O)(=O)C[C@H]32)C1 ZINC001094659958 790969835 /nfs/dbraw/zinc/96/98/35/790969835.db2.gz WKQUTTKETIRRTF-RWMBFGLXSA-N 1 2 358.464 -1.877 20 0 FAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCN(CCO)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094660851 790971076 /nfs/dbraw/zinc/97/10/76/790971076.db2.gz RKNAODKGBWZYPO-RJZRQDKASA-N 1 2 368.459 -1.174 20 0 FAADLO CN(C)C(=O)CN1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094664007 790970860 /nfs/dbraw/zinc/97/08/60/790970860.db2.gz CZONNEWUTSOANC-QWHCGFSZSA-N 1 2 369.447 -1.650 20 0 FAADLO CNC(=O)CN1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094664289 790970403 /nfs/dbraw/zinc/97/04/03/790970403.db2.gz HNSMURNIJHNTMJ-NWDGAFQWSA-N 1 2 355.420 -1.992 20 0 FAADLO C[C@H](CC(=O)N1CCN(CC(N)=O)[C@H]2CS(=O)(=O)C[C@H]21)n1cc[nH+]c1 ZINC001094664597 790971611 /nfs/dbraw/zinc/97/16/11/790971611.db2.gz KORFLDOMGFJDRX-FRRDWIJNSA-N 1 2 369.447 -1.371 20 0 FAADLO C[C@@H](CC(=O)N1CCN(CC(N)=O)[C@H]2CS(=O)(=O)C[C@H]21)n1cc[nH+]c1 ZINC001094664598 790971550 /nfs/dbraw/zinc/97/15/50/790971550.db2.gz KORFLDOMGFJDRX-RWMBFGLXSA-N 1 2 369.447 -1.371 20 0 FAADLO O=C(Cc1c[nH+]c[nH]1)N1CCN(Cc2cnon2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094664988 790971592 /nfs/dbraw/zinc/97/15/92/790971592.db2.gz QWJMNLFMWZIGIC-QWHCGFSZSA-N 1 2 366.403 -1.155 20 0 FAADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(CC(N)=O)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094667663 790972346 /nfs/dbraw/zinc/97/23/46/790972346.db2.gz STQGATRUXGVHSW-KGYLQXTDSA-N 1 2 369.447 -1.617 20 0 FAADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(CC(N)=O)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094667663 790972327 /nfs/dbraw/zinc/97/23/27/790972327.db2.gz STQGATRUXGVHSW-KGYLQXTDSA-N 1 2 369.447 -1.617 20 0 FAADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(CC(N)=O)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094667665 790972532 /nfs/dbraw/zinc/97/25/32/790972532.db2.gz STQGATRUXGVHSW-WCFLWFBJSA-N 1 2 369.447 -1.617 20 0 FAADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(CC(N)=O)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094667665 790972521 /nfs/dbraw/zinc/97/25/21/790972521.db2.gz STQGATRUXGVHSW-WCFLWFBJSA-N 1 2 369.447 -1.617 20 0 FAADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(CCO)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094667709 790972480 /nfs/dbraw/zinc/97/24/80/790972480.db2.gz UCRYCGGPKOZJLI-FPMFFAJLSA-N 1 2 356.448 -1.110 20 0 FAADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(CCO)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094667709 790972478 /nfs/dbraw/zinc/97/24/78/790972478.db2.gz UCRYCGGPKOZJLI-FPMFFAJLSA-N 1 2 356.448 -1.110 20 0 FAADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(CCO)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094667715 790972423 /nfs/dbraw/zinc/97/24/23/790972423.db2.gz UCRYCGGPKOZJLI-KWCYVHTRSA-N 1 2 356.448 -1.110 20 0 FAADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(CCO)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094667715 790972413 /nfs/dbraw/zinc/97/24/13/790972413.db2.gz UCRYCGGPKOZJLI-KWCYVHTRSA-N 1 2 356.448 -1.110 20 0 FAADLO Cn1c[nH+]cc1CN1CCN(C(=O)c2nc[nH]n2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094668791 790972644 /nfs/dbraw/zinc/97/26/44/790972644.db2.gz SDWMJSZYUHWWMF-NWDGAFQWSA-N 1 2 365.419 -1.338 20 0 FAADLO Cn1c[nH+]cc1CN1CCN(C(=O)c2cnon2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094671242 790974454 /nfs/dbraw/zinc/97/44/54/790974454.db2.gz DTXZCUYACDLNQF-QWHCGFSZSA-N 1 2 366.403 -1.073 20 0 FAADLO CNC(=O)CN1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094672556 790975419 /nfs/dbraw/zinc/97/54/19/790975419.db2.gz CAZRVDBVCFQLAR-WDEREUQCSA-N 1 2 355.420 -1.992 20 0 FAADLO O=C(Cc1[nH]cc[nH+]1)N1CCN(Cc2cnon2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094672820 790975411 /nfs/dbraw/zinc/97/54/11/790975411.db2.gz LULXTCRQGVXEEN-NWDGAFQWSA-N 1 2 366.403 -1.155 20 0 FAADLO CN(C)C(=O)CN1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094673060 790975234 /nfs/dbraw/zinc/97/52/34/790975234.db2.gz VJIHKWLGXJQBBE-NWDGAFQWSA-N 1 2 369.447 -1.650 20 0 FAADLO Cn1c[nH+]cc1CC(=O)N1CCN(CCCO)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094674234 790976273 /nfs/dbraw/zinc/97/62/73/790976273.db2.gz CZLXRLXWZAWFMP-UONOGXRCSA-N 1 2 356.448 -1.345 20 0 FAADLO C[C@H](O)CN1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094674340 790977573 /nfs/dbraw/zinc/97/75/73/790977573.db2.gz IUXVVGWKENLOOG-FPMFFAJLSA-N 1 2 356.448 -1.347 20 0 FAADLO C[C@@H](O)CN1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094674341 790977312 /nfs/dbraw/zinc/97/73/12/790977312.db2.gz IUXVVGWKENLOOG-KWCYVHTRSA-N 1 2 356.448 -1.347 20 0 FAADLO CNC(=O)CN1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094674440 790977285 /nfs/dbraw/zinc/97/72/85/790977285.db2.gz NYDVHLGXJSUYCG-QWHCGFSZSA-N 1 2 369.447 -1.982 20 0 FAADLO COCCN1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094674513 790977035 /nfs/dbraw/zinc/97/70/35/790977035.db2.gz RMDYSYWOGIMUDX-UONOGXRCSA-N 1 2 356.448 -1.081 20 0 FAADLO Cn1c[nH+]cc1CC(=O)N1CCN(CC(N)=O)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094674629 790977739 /nfs/dbraw/zinc/97/77/39/790977739.db2.gz XUXXJPSUKGCVAQ-NWDGAFQWSA-N 1 2 355.420 -2.242 20 0 FAADLO 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20 0 FAADLO Cn1[nH]c(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3COC(=O)N3)C2)nc1=O ZINC001098819059 792584910 /nfs/dbraw/zinc/58/49/10/792584910.db2.gz DVNIBKKIIFQPKK-WMFXKJRFSA-N 1 2 350.379 -1.313 20 0 FAADLO Cn1[nH]c(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3COC(=O)N3)C2)nc1=O ZINC001098819059 792584906 /nfs/dbraw/zinc/58/49/06/792584906.db2.gz DVNIBKKIIFQPKK-WMFXKJRFSA-N 1 2 350.379 -1.313 20 0 FAADLO Cn1[nH]c(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3COC(=O)N3)C2)nc1=O ZINC001098819060 792584868 /nfs/dbraw/zinc/58/48/68/792584868.db2.gz DVNIBKKIIFQPKK-YHAQOWFVSA-N 1 2 350.379 -1.313 20 0 FAADLO Cn1[nH]c(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3COC(=O)N3)C2)nc1=O ZINC001098819060 792584864 /nfs/dbraw/zinc/58/48/64/792584864.db2.gz DVNIBKKIIFQPKK-YHAQOWFVSA-N 1 2 350.379 -1.313 20 0 FAADLO NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001098907911 792585117 /nfs/dbraw/zinc/58/51/17/792585117.db2.gz QOLTUUQJHQVNFR-HZMBPMFUSA-N 1 2 356.404 -1.003 20 0 FAADLO NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001098907911 792585111 /nfs/dbraw/zinc/58/51/11/792585111.db2.gz QOLTUUQJHQVNFR-HZMBPMFUSA-N 1 2 356.404 -1.003 20 0 FAADLO NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001098918919 792587111 /nfs/dbraw/zinc/58/71/11/792587111.db2.gz KOTULGJEWOFZOK-XPTSAGLGSA-N 1 2 356.404 -1.003 20 0 FAADLO NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001098918919 792587104 /nfs/dbraw/zinc/58/71/04/792587104.db2.gz KOTULGJEWOFZOK-XPTSAGLGSA-N 1 2 356.404 -1.003 20 0 FAADLO Cn1cc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CCS(=O)(=O)N3)C2)nn1 ZINC001099168081 792588166 /nfs/dbraw/zinc/58/81/66/792588166.db2.gz HMULKCNCDXEGQY-LNSITVRQSA-N 1 2 368.463 -1.023 20 0 FAADLO Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CCS(=O)(=O)N3)C2)nn1 ZINC001099168081 792588157 /nfs/dbraw/zinc/58/81/57/792588157.db2.gz HMULKCNCDXEGQY-LNSITVRQSA-N 1 2 368.463 -1.023 20 0 FAADLO Cn1cc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CCS(=O)(=O)N3)C2)nn1 ZINC001099168082 792588237 /nfs/dbraw/zinc/58/82/37/792588237.db2.gz HMULKCNCDXEGQY-WHOFXGATSA-N 1 2 368.463 -1.023 20 0 FAADLO Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CCS(=O)(=O)N3)C2)nn1 ZINC001099168082 792588231 /nfs/dbraw/zinc/58/82/31/792588231.db2.gz HMULKCNCDXEGQY-WHOFXGATSA-N 1 2 368.463 -1.023 20 0 FAADLO Cn1ncc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CCS(=O)(=O)N3)C2)n1 ZINC001099168117 792588299 /nfs/dbraw/zinc/58/82/99/792588299.db2.gz IYRKANDAMWSBNW-LNSITVRQSA-N 1 2 368.463 -1.023 20 0 FAADLO Cn1ncc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CCS(=O)(=O)N3)C2)n1 ZINC001099168117 792588295 /nfs/dbraw/zinc/58/82/95/792588295.db2.gz IYRKANDAMWSBNW-LNSITVRQSA-N 1 2 368.463 -1.023 20 0 FAADLO Cn1ncc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CCS(=O)(=O)N3)C2)n1 ZINC001099168118 792588043 /nfs/dbraw/zinc/58/80/43/792588043.db2.gz IYRKANDAMWSBNW-WHOFXGATSA-N 1 2 368.463 -1.023 20 0 FAADLO Cn1ncc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CCS(=O)(=O)N3)C2)n1 ZINC001099168118 792588037 /nfs/dbraw/zinc/58/80/37/792588037.db2.gz IYRKANDAMWSBNW-WHOFXGATSA-N 1 2 368.463 -1.023 20 0 FAADLO Cn1ncnc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001099168204 792588397 /nfs/dbraw/zinc/58/83/97/792588397.db2.gz MBWGOIXSMFGEHS-HUBLWGQQSA-N 1 2 368.463 -1.023 20 0 FAADLO Cn1ncnc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001099168204 792588392 /nfs/dbraw/zinc/58/83/92/792588392.db2.gz MBWGOIXSMFGEHS-HUBLWGQQSA-N 1 2 368.463 -1.023 20 0 FAADLO Cn1ncnc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001099168205 792588202 /nfs/dbraw/zinc/58/82/02/792588202.db2.gz MBWGOIXSMFGEHS-ZOWXZIJZSA-N 1 2 368.463 -1.023 20 0 FAADLO Cn1ncnc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001099168205 792588197 /nfs/dbraw/zinc/58/81/97/792588197.db2.gz MBWGOIXSMFGEHS-ZOWXZIJZSA-N 1 2 368.463 -1.023 20 0 FAADLO Cn1cnnc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001099168526 792587820 /nfs/dbraw/zinc/58/78/20/792587820.db2.gz YUEIBFILAGZRJE-HUBLWGQQSA-N 1 2 368.463 -1.023 20 0 FAADLO Cn1cnnc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001099168526 792587813 /nfs/dbraw/zinc/58/78/13/792587813.db2.gz YUEIBFILAGZRJE-HUBLWGQQSA-N 1 2 368.463 -1.023 20 0 FAADLO Cn1cnnc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001099168527 792587756 /nfs/dbraw/zinc/58/77/56/792587756.db2.gz YUEIBFILAGZRJE-ZOWXZIJZSA-N 1 2 368.463 -1.023 20 0 FAADLO Cn1cnnc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001099168527 792587749 /nfs/dbraw/zinc/58/77/49/792587749.db2.gz YUEIBFILAGZRJE-ZOWXZIJZSA-N 1 2 368.463 -1.023 20 0 FAADLO Cn1cc(C[NH2+][C@@H]2CN(C(=O)Cn3cnnn3)C[C@H]2C(F)(F)F)nn1 ZINC001099208178 792588216 /nfs/dbraw/zinc/58/82/16/792588216.db2.gz VLDXNEYVAVNUJB-NXEZZACHSA-N 1 2 359.316 -1.019 20 0 FAADLO Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C(F)(F)F ZINC001099208636 792589370 /nfs/dbraw/zinc/58/93/70/792589370.db2.gz BKDNHKLJMJPBBE-RKDXNWHRSA-N 1 2 359.316 -1.019 20 0 FAADLO Cn1cnnc1C[NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C(F)(F)F ZINC001099209017 792589118 /nfs/dbraw/zinc/58/91/18/792589118.db2.gz IVEBAHUXNVEAEY-RKDXNWHRSA-N 1 2 359.316 -1.019 20 0 FAADLO Cn1[nH]c(C[NH2+][C@@H]2CN(C(=O)CC(N)=O)C[C@H]2C(F)(F)F)nc1=O ZINC001099227154 792588944 /nfs/dbraw/zinc/58/89/44/792588944.db2.gz VECFJMIJFJJXNT-RNFRBKRXSA-N 1 2 350.301 -1.537 20 0 FAADLO Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C(F)(F)F ZINC001099250838 792589095 /nfs/dbraw/zinc/58/90/95/792589095.db2.gz BTXHYCSDSGLUCO-RKDXNWHRSA-N 1 2 359.316 -1.019 20 0 FAADLO Cn1cnnc1C[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C(F)(F)F ZINC001099251573 792589504 /nfs/dbraw/zinc/58/95/04/792589504.db2.gz STURNVPYLBQSCY-RKDXNWHRSA-N 1 2 359.316 -1.019 20 0 FAADLO Cn1cc(C[NH2+][C@@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C(F)(F)F)nn1 ZINC001099251805 792589014 /nfs/dbraw/zinc/58/90/14/792589014.db2.gz AJMUCQMXEXMUHV-NXEZZACHSA-N 1 2 359.316 -1.019 20 0 FAADLO Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]2C(F)(F)F)nn1 ZINC001099297892 792590575 /nfs/dbraw/zinc/59/05/75/792590575.db2.gz OTCCPFRKHUZPCR-KXUCPTDWSA-N 1 2 361.328 -1.025 20 0 FAADLO Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]2C(F)(F)F)nn1 ZINC001099297893 792590250 /nfs/dbraw/zinc/59/02/50/792590250.db2.gz OTCCPFRKHUZPCR-OPRDCNLKSA-N 1 2 361.328 -1.025 20 0 FAADLO NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001099298210 792591347 /nfs/dbraw/zinc/59/13/47/792591347.db2.gz WDTLASSHDMEARD-HTQZYQBOSA-N 1 2 365.312 -2.591 20 0 FAADLO Cn1cnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C(F)(F)F ZINC001099300257 792591517 /nfs/dbraw/zinc/59/15/17/792591517.db2.gz WFYNAAZTYJFIFS-HRDYMLBCSA-N 1 2 361.328 -1.025 20 0 FAADLO Cn1cnnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C(F)(F)F ZINC001099300258 792591284 /nfs/dbraw/zinc/59/12/84/792591284.db2.gz WFYNAAZTYJFIFS-IWSPIJDZSA-N 1 2 361.328 -1.025 20 0 FAADLO Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C(F)(F)F ZINC001099300278 792591214 /nfs/dbraw/zinc/59/12/14/792591214.db2.gz WZBXKTPRYJTAEB-HRDYMLBCSA-N 1 2 361.328 -1.025 20 0 FAADLO Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C(F)(F)F ZINC001099300279 792591404 /nfs/dbraw/zinc/59/14/04/792591404.db2.gz WZBXKTPRYJTAEB-IWSPIJDZSA-N 1 2 361.328 -1.025 20 0 FAADLO Cn1nnc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)CS(C)(=O)=O)C3)n1 ZINC001099385137 792592600 /nfs/dbraw/zinc/59/26/00/792592600.db2.gz JOQXHCQUPWYQIF-FZMZJTMJSA-N 1 2 356.452 -1.027 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CN(C(=O)CS(C)(=O)=O)C[C@]2(C)C1 ZINC001101149916 792594283 /nfs/dbraw/zinc/59/42/83/792594283.db2.gz YYWBKUKYPMZTEM-RBZYPMLTSA-N 1 2 360.436 -1.605 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)CS(C)(=O)=O)C[C@]2(C)C1 ZINC001101149916 792594277 /nfs/dbraw/zinc/59/42/77/792594277.db2.gz YYWBKUKYPMZTEM-RBZYPMLTSA-N 1 2 360.436 -1.605 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CN(C(=O)CS(C)(=O)=O)C[C@]2(C)C1 ZINC001101149917 792595049 /nfs/dbraw/zinc/59/50/49/792595049.db2.gz YYWBKUKYPMZTEM-RULNRJAQSA-N 1 2 360.436 -1.605 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)CS(C)(=O)=O)C[C@]2(C)C1 ZINC001101149917 792595045 /nfs/dbraw/zinc/59/50/45/792595045.db2.gz YYWBKUKYPMZTEM-RULNRJAQSA-N 1 2 360.436 -1.605 20 0 FAADLO CNC(=O)NCCC(=O)N1C[C@H]2C[N@@H+](Cc3nnnn3C)C[C@@]2(C)C1 ZINC001101227128 792597276 /nfs/dbraw/zinc/59/72/76/792597276.db2.gz UWXHESKLQIMIKE-ABAIWWIYSA-N 1 2 350.427 -1.191 20 0 FAADLO CNC(=O)NCCC(=O)N1C[C@H]2C[N@H+](Cc3nnnn3C)C[C@@]2(C)C1 ZINC001101227128 792597268 /nfs/dbraw/zinc/59/72/68/792597268.db2.gz UWXHESKLQIMIKE-ABAIWWIYSA-N 1 2 350.427 -1.191 20 0 FAADLO C[C@H](CC(=O)N1C[C@H]2C[N@@H+](Cc3nnnn3C)C[C@@]2(C)C1)NC(N)=O ZINC001101236480 792596978 /nfs/dbraw/zinc/59/69/78/792596978.db2.gz VABJFZCBSWCMSY-HFAKWTLXSA-N 1 2 350.427 -1.063 20 0 FAADLO C[C@H](CC(=O)N1C[C@H]2C[N@H+](Cc3nnnn3C)C[C@@]2(C)C1)NC(N)=O ZINC001101236480 792596976 /nfs/dbraw/zinc/59/69/76/792596976.db2.gz VABJFZCBSWCMSY-HFAKWTLXSA-N 1 2 350.427 -1.063 20 0 FAADLO C[C@@H](CC(=O)N1C[C@H]2C[N@@H+](Cc3nnnn3C)C[C@@]2(C)C1)NC(N)=O ZINC001101236481 792597457 /nfs/dbraw/zinc/59/74/57/792597457.db2.gz VABJFZCBSWCMSY-RWSFTLGLSA-N 1 2 350.427 -1.063 20 0 FAADLO C[C@@H](CC(=O)N1C[C@H]2C[N@H+](Cc3nnnn3C)C[C@@]2(C)C1)NC(N)=O ZINC001101236481 792597450 /nfs/dbraw/zinc/59/74/50/792597450.db2.gz VABJFZCBSWCMSY-RWSFTLGLSA-N 1 2 350.427 -1.063 20 0 FAADLO CNS(=O)(=O)CCC(=O)N1C[C@H]2C[N@@H+](Cc3nnnn3C)C[C@@]2(C)C1 ZINC001101237407 792597560 /nfs/dbraw/zinc/59/75/60/792597560.db2.gz RCQAEIIREWWMEI-RISCZKNCSA-N 1 2 371.467 -1.570 20 0 FAADLO CNS(=O)(=O)CCC(=O)N1C[C@H]2C[N@H+](Cc3nnnn3C)C[C@@]2(C)C1 ZINC001101237407 792597552 /nfs/dbraw/zinc/59/75/52/792597552.db2.gz RCQAEIIREWWMEI-RISCZKNCSA-N 1 2 371.467 -1.570 20 0 FAADLO CCS(=O)(=O)NCC(=O)N1C[C@H]2C[N@@H+](Cc3nnnn3C)C[C@@]2(C)C1 ZINC001101256214 792598692 /nfs/dbraw/zinc/59/86/92/792598692.db2.gz KRLFVLCUYLIKMG-RISCZKNCSA-N 1 2 371.467 -1.570 20 0 FAADLO CCS(=O)(=O)NCC(=O)N1C[C@H]2C[N@H+](Cc3nnnn3C)C[C@@]2(C)C1 ZINC001101256214 792598685 /nfs/dbraw/zinc/59/86/85/792598685.db2.gz KRLFVLCUYLIKMG-RISCZKNCSA-N 1 2 371.467 -1.570 20 0 FAADLO CN(CC(=O)N1C[C@H]2C[N@@H+](Cc3nncn3C)C[C@@]2(C)C1)S(C)(=O)=O ZINC001101256349 792598610 /nfs/dbraw/zinc/59/86/10/792598610.db2.gz RDUMINKOFXNTIP-DOMZBBRYSA-N 1 2 370.479 -1.013 20 0 FAADLO CN(CC(=O)N1C[C@H]2C[N@H+](Cc3nncn3C)C[C@@]2(C)C1)S(C)(=O)=O ZINC001101256349 792598606 /nfs/dbraw/zinc/59/86/06/792598606.db2.gz RDUMINKOFXNTIP-DOMZBBRYSA-N 1 2 370.479 -1.013 20 0 FAADLO CN(CC(=O)N1C[C@H]2C[N@@H+](Cc3cnn(C)n3)C[C@@]2(C)C1)S(C)(=O)=O ZINC001101256364 792598548 /nfs/dbraw/zinc/59/85/48/792598548.db2.gz RZOIAIWRSGRBAC-DOMZBBRYSA-N 1 2 370.479 -1.013 20 0 FAADLO CN(CC(=O)N1C[C@H]2C[N@H+](Cc3cnn(C)n3)C[C@@]2(C)C1)S(C)(=O)=O ZINC001101256364 792598543 /nfs/dbraw/zinc/59/85/43/792598543.db2.gz RZOIAIWRSGRBAC-DOMZBBRYSA-N 1 2 370.479 -1.013 20 0 FAADLO Cn1nnnc1C[N@H+]1C[C@@H]2CN(C(=O)CCNS(C)(=O)=O)C[C@]2(C)C1 ZINC001101256392 792598202 /nfs/dbraw/zinc/59/82/02/792598202.db2.gz UOLVNASTRUEORZ-RISCZKNCSA-N 1 2 371.467 -1.570 20 0 FAADLO Cn1nnnc1C[N@@H+]1C[C@@H]2CN(C(=O)CCNS(C)(=O)=O)C[C@]2(C)C1 ZINC001101256392 792598198 /nfs/dbraw/zinc/59/81/98/792598198.db2.gz UOLVNASTRUEORZ-RISCZKNCSA-N 1 2 371.467 -1.570 20 0 FAADLO CN(CC(=O)N1C[C@H]2C[N@@H+](Cc3nnnn3C)C[C@@]2(C)C1)S(C)(=O)=O ZINC001101256404 792598420 /nfs/dbraw/zinc/59/84/20/792598420.db2.gz VNPKPWOEERIVQS-RISCZKNCSA-N 1 2 371.467 -1.618 20 0 FAADLO CN(CC(=O)N1C[C@H]2C[N@H+](Cc3nnnn3C)C[C@@]2(C)C1)S(C)(=O)=O ZINC001101256404 792598418 /nfs/dbraw/zinc/59/84/18/792598418.db2.gz VNPKPWOEERIVQS-RISCZKNCSA-N 1 2 371.467 -1.618 20 0 FAADLO CN(CC(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3C)C[C@@]2(C)C1)S(C)(=O)=O 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ZINC001101465312 792607361 /nfs/dbraw/zinc/60/73/61/792607361.db2.gz BTYOREPFHDSHDA-RISCZKNCSA-N 1 2 356.452 -1.057 20 0 FAADLO CNS(=O)(=O)CC(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3C)C[C@@]2(C)C1 ZINC001101465544 792608394 /nfs/dbraw/zinc/60/83/94/792608394.db2.gz MNDCVMKOTCBFHG-RISCZKNCSA-N 1 2 356.452 -1.355 20 0 FAADLO CNS(=O)(=O)CC(=O)N1C[C@H]2C[N@H+](Cc3ncnn3C)C[C@@]2(C)C1 ZINC001101465544 792608387 /nfs/dbraw/zinc/60/83/87/792608387.db2.gz MNDCVMKOTCBFHG-RISCZKNCSA-N 1 2 356.452 -1.355 20 0 FAADLO CNS(=O)(=O)CC(=O)N1C[C@H]2C[N@H+]([C@H](C)c3nnnn3C)C[C@@]2(C)C1 ZINC001101465640 792608156 /nfs/dbraw/zinc/60/81/56/792608156.db2.gz RSIZGPODDOKTKQ-GYSYKLTISA-N 1 2 371.467 -1.399 20 0 FAADLO CNS(=O)(=O)CC(=O)N1C[C@H]2C[N@@H+]([C@H](C)c3nnnn3C)C[C@@]2(C)C1 ZINC001101465640 792608148 /nfs/dbraw/zinc/60/81/48/792608148.db2.gz RSIZGPODDOKTKQ-GYSYKLTISA-N 1 2 371.467 -1.399 20 0 FAADLO CNS(=O)(=O)CC(=O)N1C[C@H]2C[N@H+]([C@@H](C)c3nnnn3C)C[C@@]2(C)C1 ZINC001101465641 792607898 /nfs/dbraw/zinc/60/78/98/792607898.db2.gz RSIZGPODDOKTKQ-WDMOLILDSA-N 1 2 371.467 -1.399 20 0 FAADLO CNS(=O)(=O)CC(=O)N1C[C@H]2C[N@@H+]([C@@H](C)c3nnnn3C)C[C@@]2(C)C1 ZINC001101465641 792607897 /nfs/dbraw/zinc/60/78/97/792607897.db2.gz RSIZGPODDOKTKQ-WDMOLILDSA-N 1 2 371.467 -1.399 20 0 FAADLO C[C@@H]1C[N@@H+](CC(=O)Nc2nncs2)C[C@H]1CNC(=O)CNC(N)=O ZINC001101711125 792610017 /nfs/dbraw/zinc/61/00/17/792610017.db2.gz NIQZGVYGTFYOHM-RKDXNWHRSA-N 1 2 355.424 -1.171 20 0 FAADLO C[C@@H]1C[N@H+](CC(=O)Nc2nncs2)C[C@H]1CNC(=O)CNC(N)=O ZINC001101711125 792610014 /nfs/dbraw/zinc/61/00/14/792610014.db2.gz NIQZGVYGTFYOHM-RKDXNWHRSA-N 1 2 355.424 -1.171 20 0 FAADLO C[C@@H]1C[N@@H+](CC(=O)Nc2nncs2)C[C@H]1CNC(=O)Cn1cnnn1 ZINC001101717255 792609751 /nfs/dbraw/zinc/60/97/51/792609751.db2.gz XEVYEYOHFRVEEQ-NXEZZACHSA-N 1 2 365.423 -1.153 20 0 FAADLO C[C@@H]1C[N@H+](CC(=O)Nc2nncs2)C[C@H]1CNC(=O)Cn1cnnn1 ZINC001101717255 792609744 /nfs/dbraw/zinc/60/97/44/792609744.db2.gz XEVYEYOHFRVEEQ-NXEZZACHSA-N 1 2 365.423 -1.153 20 0 FAADLO CCOCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CS(C)(=O)=O)[C@H](C)C1 ZINC001101782095 792610363 /nfs/dbraw/zinc/61/03/63/792610363.db2.gz OFBJQMZBJMZMSS-CHWSQXEVSA-N 1 2 363.480 -1.132 20 0 FAADLO CCOCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)CS(C)(=O)=O)[C@H](C)C1 ZINC001101782095 792610358 /nfs/dbraw/zinc/61/03/58/792610358.db2.gz OFBJQMZBJMZMSS-CHWSQXEVSA-N 1 2 363.480 -1.132 20 0 FAADLO C[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)CS(C)(=O)=O ZINC001101783094 792610979 /nfs/dbraw/zinc/61/09/79/792610979.db2.gz FVGKVAYASBSIMB-VXGBXAGGSA-N 1 2 369.509 -1.394 20 0 FAADLO C[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)CS(C)(=O)=O ZINC001101783094 792610974 /nfs/dbraw/zinc/61/09/74/792610974.db2.gz FVGKVAYASBSIMB-VXGBXAGGSA-N 1 2 369.509 -1.394 20 0 FAADLO COCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CS(C)(=O)=O)[C@H](C)C1 ZINC001101783187 792611304 /nfs/dbraw/zinc/61/13/04/792611304.db2.gz JGRCXMRHHFOZCW-CHWSQXEVSA-N 1 2 363.480 -1.132 20 0 FAADLO COCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)CS(C)(=O)=O)[C@H](C)C1 ZINC001101783187 792611302 /nfs/dbraw/zinc/61/13/02/792611302.db2.gz JGRCXMRHHFOZCW-CHWSQXEVSA-N 1 2 363.480 -1.132 20 0 FAADLO CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)CS(C)(=O)=O)[C@H](C)C1 ZINC001101783201 792610649 /nfs/dbraw/zinc/61/06/49/792610649.db2.gz JSYDMUNGRUGABW-GHMZBOCLSA-N 1 2 362.452 -1.439 20 0 FAADLO CCNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)CS(C)(=O)=O)[C@H](C)C1 ZINC001101783201 792610642 /nfs/dbraw/zinc/61/06/42/792610642.db2.gz JSYDMUNGRUGABW-GHMZBOCLSA-N 1 2 362.452 -1.439 20 0 FAADLO C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1CNC(=O)CS(C)(=O)=O ZINC001101783239 792610537 /nfs/dbraw/zinc/61/05/37/792610537.db2.gz LKJBOYZCDRKKTK-CHWSQXEVSA-N 1 2 361.464 -1.426 20 0 FAADLO C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1CNC(=O)CS(C)(=O)=O ZINC001101783239 792610532 /nfs/dbraw/zinc/61/05/32/792610532.db2.gz LKJBOYZCDRKKTK-CHWSQXEVSA-N 1 2 361.464 -1.426 20 0 FAADLO CCS(=O)(=O)NCC[N@@H+]1C[C@@H](CNC(=O)CS(C)(=O)=O)[C@H](C)C1 ZINC001101784369 792610739 /nfs/dbraw/zinc/61/07/39/792610739.db2.gz ABFSTPMCSFDJSD-VXGBXAGGSA-N 1 2 369.509 -1.346 20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1C[C@@H](CNC(=O)CS(C)(=O)=O)[C@H](C)C1 ZINC001101784369 792610731 /nfs/dbraw/zinc/61/07/31/792610731.db2.gz ABFSTPMCSFDJSD-VXGBXAGGSA-N 1 2 369.509 -1.346 20 0 FAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CS(C)(=O)=O)[C@H](C)C1 ZINC001101784642 792610862 /nfs/dbraw/zinc/61/08/62/792610862.db2.gz KABRNDCDIALFBH-GMTAPVOTSA-N 1 2 362.452 -1.441 20 0 FAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)CS(C)(=O)=O)[C@H](C)C1 ZINC001101784642 792610856 /nfs/dbraw/zinc/61/08/56/792610856.db2.gz KABRNDCDIALFBH-GMTAPVOTSA-N 1 2 362.452 -1.441 20 0 FAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CS(C)(=O)=O)[C@H](C)C1 ZINC001101784643 792610579 /nfs/dbraw/zinc/61/05/79/792610579.db2.gz KABRNDCDIALFBH-OUAUKWLOSA-N 1 2 362.452 -1.441 20 0 FAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)CS(C)(=O)=O)[C@H](C)C1 ZINC001101784643 792610572 /nfs/dbraw/zinc/61/05/72/792610572.db2.gz KABRNDCDIALFBH-OUAUKWLOSA-N 1 2 362.452 -1.441 20 0 FAADLO C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)CS(C)(=O)=O ZINC001101784803 792611133 /nfs/dbraw/zinc/61/11/33/792611133.db2.gz NMQPGWWTSZNVDM-GHMZBOCLSA-N 1 2 355.482 -1.736 20 0 FAADLO C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)CS(C)(=O)=O ZINC001101784803 792611129 /nfs/dbraw/zinc/61/11/29/792611129.db2.gz NMQPGWWTSZNVDM-GHMZBOCLSA-N 1 2 355.482 -1.736 20 0 FAADLO CNS(=O)(=O)CCC(=O)NC[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1C ZINC001101969237 792614886 /nfs/dbraw/zinc/61/48/86/792614886.db2.gz MCVWQLGVVBTSNZ-GHMZBOCLSA-N 1 2 359.456 -1.667 20 0 FAADLO CNS(=O)(=O)CCC(=O)NC[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1C ZINC001101969237 792614880 /nfs/dbraw/zinc/61/48/80/792614880.db2.gz MCVWQLGVVBTSNZ-GHMZBOCLSA-N 1 2 359.456 -1.667 20 0 FAADLO C[C@@H]1C[N@@H+](CC(=O)Nc2nncs2)C[C@H]1CNC(=O)Cn1ncnn1 ZINC001101980079 792616117 /nfs/dbraw/zinc/61/61/17/792616117.db2.gz LPYJVWFLCXIOLD-NXEZZACHSA-N 1 2 365.423 -1.153 20 0 FAADLO C[C@@H]1C[N@H+](CC(=O)Nc2nncs2)C[C@H]1CNC(=O)Cn1ncnn1 ZINC001101980079 792616113 /nfs/dbraw/zinc/61/61/13/792616113.db2.gz LPYJVWFLCXIOLD-NXEZZACHSA-N 1 2 365.423 -1.153 20 0 FAADLO COCC(=O)N[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1C ZINC001101994656 792616206 /nfs/dbraw/zinc/61/62/06/792616206.db2.gz KZRSBIFINCNYLH-GRYCIOLGSA-N 1 2 353.427 -1.455 20 0 FAADLO COCC(=O)N[C@@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1C ZINC001101994656 792616200 /nfs/dbraw/zinc/61/62/00/792616200.db2.gz KZRSBIFINCNYLH-GRYCIOLGSA-N 1 2 353.427 -1.455 20 0 FAADLO COCC(=O)N[C@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1C ZINC001101994657 792616617 /nfs/dbraw/zinc/61/66/17/792616617.db2.gz KZRSBIFINCNYLH-IJLUTSLNSA-N 1 2 353.427 -1.455 20 0 FAADLO COCC(=O)N[C@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1C ZINC001101994657 792616610 /nfs/dbraw/zinc/61/66/10/792616610.db2.gz KZRSBIFINCNYLH-IJLUTSLNSA-N 1 2 353.427 -1.455 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](CNC(=O)C2CS(=O)(=O)C2)[C@H](C)C1 ZINC001101995638 792616145 /nfs/dbraw/zinc/61/61/45/792616145.db2.gz FFWCOEQRBNKSRQ-KXUCPTDWSA-N 1 2 360.436 -1.702 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](CNC(=O)C2CS(=O)(=O)C2)[C@H](C)C1 ZINC001101995638 792616135 /nfs/dbraw/zinc/61/61/35/792616135.db2.gz FFWCOEQRBNKSRQ-KXUCPTDWSA-N 1 2 360.436 -1.702 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](CNC(=O)C2CS(=O)(=O)C2)[C@H](C)C1 ZINC001101995639 792616420 /nfs/dbraw/zinc/61/64/20/792616420.db2.gz FFWCOEQRBNKSRQ-OPRDCNLKSA-N 1 2 360.436 -1.702 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](CNC(=O)C2CS(=O)(=O)C2)[C@H](C)C1 ZINC001101995639 792616414 /nfs/dbraw/zinc/61/64/14/792616414.db2.gz FFWCOEQRBNKSRQ-OPRDCNLKSA-N 1 2 360.436 -1.702 20 0 FAADLO CNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C2CS(=O)(=O)C2)[C@H](C)C1 ZINC001101995796 792616265 /nfs/dbraw/zinc/61/62/65/792616265.db2.gz LAJLNKQURWYORK-NXEZZACHSA-N 1 2 360.436 -1.829 20 0 FAADLO CNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)C2CS(=O)(=O)C2)[C@H](C)C1 ZINC001101995796 792616259 /nfs/dbraw/zinc/61/62/59/792616259.db2.gz LAJLNKQURWYORK-NXEZZACHSA-N 1 2 360.436 -1.829 20 0 FAADLO C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)C1CS(=O)(=O)C1 ZINC001101996080 792615850 /nfs/dbraw/zinc/61/58/50/792615850.db2.gz VIDZISBMJNTNKD-GHMZBOCLSA-N 1 2 367.493 -1.736 20 0 FAADLO C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)C1CS(=O)(=O)C1 ZINC001101996080 792615844 /nfs/dbraw/zinc/61/58/44/792615844.db2.gz VIDZISBMJNTNKD-GHMZBOCLSA-N 1 2 367.493 -1.736 20 0 FAADLO CCS(=O)(=O)NCC(=O)NC[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1C ZINC001102016610 792617198 /nfs/dbraw/zinc/61/71/98/792617198.db2.gz FAYVMYMQFACVMK-GHMZBOCLSA-N 1 2 359.456 -1.667 20 0 FAADLO CCS(=O)(=O)NCC(=O)NC[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1C ZINC001102016610 792617191 /nfs/dbraw/zinc/61/71/91/792617191.db2.gz FAYVMYMQFACVMK-GHMZBOCLSA-N 1 2 359.456 -1.667 20 0 FAADLO C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CNC(=O)CCNS(C)(=O)=O ZINC001102016791 792617224 /nfs/dbraw/zinc/61/72/24/792617224.db2.gz OKYDURSRBPWFOP-GHMZBOCLSA-N 1 2 359.456 -1.667 20 0 FAADLO C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CNC(=O)CCNS(C)(=O)=O ZINC001102016791 792617219 /nfs/dbraw/zinc/61/72/19/792617219.db2.gz OKYDURSRBPWFOP-GHMZBOCLSA-N 1 2 359.456 -1.667 20 0 FAADLO C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CNC(=O)CN(C)S(C)(=O)=O ZINC001102017817 792618514 /nfs/dbraw/zinc/61/85/14/792618514.db2.gz URIWQZACGHVVOR-GHMZBOCLSA-N 1 2 359.456 -1.714 20 0 FAADLO C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CNC(=O)CN(C)S(C)(=O)=O ZINC001102017817 792618506 /nfs/dbraw/zinc/61/85/06/792618506.db2.gz URIWQZACGHVVOR-GHMZBOCLSA-N 1 2 359.456 -1.714 20 0 FAADLO COCC(=O)N(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1C ZINC001102018664 792619190 /nfs/dbraw/zinc/61/91/90/792619190.db2.gz PONBJIHKTIGRKM-VXGBXAGGSA-N 1 2 353.427 -1.501 20 0 FAADLO COCC(=O)N(C)CC(=O)NC[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1C ZINC001102018664 792619184 /nfs/dbraw/zinc/61/91/84/792619184.db2.gz PONBJIHKTIGRKM-VXGBXAGGSA-N 1 2 353.427 -1.501 20 0 FAADLO COCC(=O)NCCC(=O)NC[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1C ZINC001102019396 792618421 /nfs/dbraw/zinc/61/84/21/792618421.db2.gz IKPUVDGTBFWGNR-VXGBXAGGSA-N 1 2 353.427 -1.453 20 0 FAADLO COCC(=O)NCCC(=O)NC[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1C ZINC001102019396 792618413 /nfs/dbraw/zinc/61/84/13/792618413.db2.gz IKPUVDGTBFWGNR-VXGBXAGGSA-N 1 2 353.427 -1.453 20 0 FAADLO C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CNC(=O)CN1CCCS1(=O)=O ZINC001102023782 792618655 /nfs/dbraw/zinc/61/86/55/792618655.db2.gz JMLPBJQOOMECBZ-VXGBXAGGSA-N 1 2 371.467 -1.570 20 0 FAADLO C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CNC(=O)CN1CCCS1(=O)=O ZINC001102023782 792618650 /nfs/dbraw/zinc/61/86/50/792618650.db2.gz JMLPBJQOOMECBZ-VXGBXAGGSA-N 1 2 371.467 -1.570 20 0 FAADLO C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CNC(=O)CN1CCOCC1=O ZINC001102050844 792620187 /nfs/dbraw/zinc/62/01/87/792620187.db2.gz LPMOTCXDGOCQFB-VXGBXAGGSA-N 1 2 351.411 -1.747 20 0 FAADLO 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CC(=O)N1CC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNS(C)(=O)=O)C1 ZINC001109192949 790716605 /nfs/dbraw/zinc/71/66/05/790716605.db2.gz SGMSFQRQKRVDIO-RDBSUJKOSA-N 1 2 358.464 -1.265 20 0 FAADLO CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CN(C(C)=O)C1)C2 ZINC001109192973 790716800 /nfs/dbraw/zinc/71/68/00/790716800.db2.gz UEPGZRMELVLGEV-AGIUHOORSA-N 1 2 351.407 -1.358 20 0 FAADLO CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CN(C(C)=O)C1)C2 ZINC001109192973 790716791 /nfs/dbraw/zinc/71/67/91/790716791.db2.gz UEPGZRMELVLGEV-AGIUHOORSA-N 1 2 351.407 -1.358 20 0 FAADLO CNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@@H]1CCOC1 ZINC001109194682 790717578 /nfs/dbraw/zinc/71/75/78/790717578.db2.gz XBIZXGQAIZJDNC-CRWXNKLISA-N 1 2 352.435 -1.003 20 0 FAADLO CNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@@H]1CCOC1 ZINC001109194682 790717571 /nfs/dbraw/zinc/71/75/71/790717571.db2.gz XBIZXGQAIZJDNC-CRWXNKLISA-N 1 2 352.435 -1.003 20 0 FAADLO CNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@H]1CCOC1 ZINC001109194683 790717521 /nfs/dbraw/zinc/71/75/21/790717521.db2.gz XBIZXGQAIZJDNC-MQYQWHSLSA-N 1 2 352.435 -1.003 20 0 FAADLO CNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@H]1CCOC1 ZINC001109194683 790717513 /nfs/dbraw/zinc/71/75/13/790717513.db2.gz XBIZXGQAIZJDNC-MQYQWHSLSA-N 1 2 352.435 -1.003 20 0 FAADLO Cn1oc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNS(C)(=O)=O)cc1=O ZINC001109195821 790717827 /nfs/dbraw/zinc/71/78/27/790717827.db2.gz GCIOEVBIPOQMAG-VWYCJHECSA-N 1 2 358.420 -1.137 20 0 FAADLO Cn1oc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNS(C)(=O)=O)cc1=O ZINC001109195821 790717821 /nfs/dbraw/zinc/71/78/21/790717821.db2.gz GCIOEVBIPOQMAG-VWYCJHECSA-N 1 2 358.420 -1.137 20 0 FAADLO CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)NC(N)=O)C2 ZINC001109196097 790716978 /nfs/dbraw/zinc/71/69/78/790716978.db2.gz KYIXUXJWWVIAID-VLEAKVRGSA-N 1 2 354.411 -1.390 20 0 FAADLO CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)NC(N)=O)C2 ZINC001109196097 790716968 /nfs/dbraw/zinc/71/69/68/790716968.db2.gz KYIXUXJWWVIAID-VLEAKVRGSA-N 1 2 354.411 -1.390 20 0 FAADLO CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)NC(N)=O)C2 ZINC001109196189 790717193 /nfs/dbraw/zinc/71/71/93/790717193.db2.gz ODHRLVHAZWBOEM-RNJOBUHISA-N 1 2 355.439 -1.083 20 0 FAADLO CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)NC(N)=O)C2 ZINC001109196189 790717183 /nfs/dbraw/zinc/71/71/83/790717183.db2.gz ODHRLVHAZWBOEM-RNJOBUHISA-N 1 2 355.439 -1.083 20 0 FAADLO CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(=O)n(C)o1)C2 ZINC001109196398 790716546 /nfs/dbraw/zinc/71/65/46/790716546.db2.gz XLLRBJQRKFHBIP-UTLUCORTSA-N 1 2 351.363 -1.231 20 0 FAADLO CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(=O)n(C)o1)C2 ZINC001109196398 790716536 /nfs/dbraw/zinc/71/65/36/790716536.db2.gz XLLRBJQRKFHBIP-UTLUCORTSA-N 1 2 351.363 -1.231 20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)NC(N)=O)C2 ZINC001109196497 790716734 /nfs/dbraw/zinc/71/67/34/790716734.db2.gz ASNKXEQLJUKVIB-USZNOCQGSA-N 1 2 361.468 -1.296 20 0 FAADLO CCS(=O)(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)NC(N)=O)C2 ZINC001109196497 790716729 /nfs/dbraw/zinc/71/67/29/790716729.db2.gz ASNKXEQLJUKVIB-USZNOCQGSA-N 1 2 361.468 -1.296 20 0 FAADLO COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)NC(N)=O)C2 ZINC001109196526 790717008 /nfs/dbraw/zinc/71/70/08/790717008.db2.gz CQXWHIAQZBOLQO-RNJOBUHISA-N 1 2 355.439 -1.083 20 0 FAADLO COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)NC(N)=O)C2 ZINC001109196526 790716999 /nfs/dbraw/zinc/71/69/99/790716999.db2.gz CQXWHIAQZBOLQO-RNJOBUHISA-N 1 2 355.439 -1.083 20 0 FAADLO C[C@H](NC(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOCC1 ZINC001109197147 790716828 /nfs/dbraw/zinc/71/68/28/790716828.db2.gz NFSLALDFKGYULI-RNJOBUHISA-N 1 2 353.423 -1.377 20 0 FAADLO C[C@H](NC(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOCC1 ZINC001109197147 790716820 /nfs/dbraw/zinc/71/68/20/790716820.db2.gz NFSLALDFKGYULI-RNJOBUHISA-N 1 2 353.423 -1.377 20 0 FAADLO CC(C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001109217404 790717661 /nfs/dbraw/zinc/71/76/61/790717661.db2.gz NSOBSEKGZHTPFX-AGIUHOORSA-N 1 2 352.435 -1.173 20 0 FAADLO CC(C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001109217404 790717654 /nfs/dbraw/zinc/71/76/54/790717654.db2.gz NSOBSEKGZHTPFX-AGIUHOORSA-N 1 2 352.435 -1.173 20 0 FAADLO CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1COC(=O)N1)C2 ZINC001109218666 790717037 /nfs/dbraw/zinc/71/70/37/790717037.db2.gz QVEDEIWIDKXADM-RCWTZXSCSA-N 1 2 353.379 -1.338 20 0 FAADLO CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1COC(=O)N1)C2 ZINC001109218666 790717029 /nfs/dbraw/zinc/71/70/29/790717029.db2.gz QVEDEIWIDKXADM-RCWTZXSCSA-N 1 2 353.379 -1.338 20 0 FAADLO CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1COC(=O)N1)C2 ZINC001109218667 790717063 /nfs/dbraw/zinc/71/70/63/790717063.db2.gz QVEDEIWIDKXADM-YTWAJWBKSA-N 1 2 353.379 -1.338 20 0 FAADLO CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1COC(=O)N1)C2 ZINC001109218667 790717054 /nfs/dbraw/zinc/71/70/54/790717054.db2.gz QVEDEIWIDKXADM-YTWAJWBKSA-N 1 2 353.379 -1.338 20 0 FAADLO CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1COC(=O)N1)C2 ZINC001109218737 790717119 /nfs/dbraw/zinc/71/71/19/790717119.db2.gz UILWPWRICGVSHL-VOAKCMCISA-N 1 2 354.407 -1.031 20 0 FAADLO CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1COC(=O)N1)C2 ZINC001109218737 790717114 /nfs/dbraw/zinc/71/71/14/790717114.db2.gz UILWPWRICGVSHL-VOAKCMCISA-N 1 2 354.407 -1.031 20 0 FAADLO CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1COC(=O)N1)C2 ZINC001109218738 790717488 /nfs/dbraw/zinc/71/74/88/790717488.db2.gz UILWPWRICGVSHL-XQHKEYJVSA-N 1 2 354.407 -1.031 20 0 FAADLO CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1COC(=O)N1)C2 ZINC001109218738 790717477 /nfs/dbraw/zinc/71/74/77/790717477.db2.gz UILWPWRICGVSHL-XQHKEYJVSA-N 1 2 354.407 -1.031 20 0 FAADLO COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1COC(=O)N1)C2 ZINC001109218861 790717269 /nfs/dbraw/zinc/71/72/69/790717269.db2.gz ZLFPDIDHNGFYNV-VOAKCMCISA-N 1 2 354.407 -1.031 20 0 FAADLO COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1COC(=O)N1)C2 ZINC001109218861 790717254 /nfs/dbraw/zinc/71/72/54/790717254.db2.gz ZLFPDIDHNGFYNV-VOAKCMCISA-N 1 2 354.407 -1.031 20 0 FAADLO COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1COC(=O)N1)C2 ZINC001109218862 790716912 /nfs/dbraw/zinc/71/69/12/790716912.db2.gz ZLFPDIDHNGFYNV-XQHKEYJVSA-N 1 2 354.407 -1.031 20 0 FAADLO COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1COC(=O)N1)C2 ZINC001109218862 790716900 /nfs/dbraw/zinc/71/69/00/790716900.db2.gz ZLFPDIDHNGFYNV-XQHKEYJVSA-N 1 2 354.407 -1.031 20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1COC(=O)N1)C2 ZINC001109222234 790717232 /nfs/dbraw/zinc/71/72/32/790717232.db2.gz MJOZGTTYSOLLHL-KXNHARMFSA-N 1 2 360.436 -1.244 20 0 FAADLO CCS(=O)(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1COC(=O)N1)C2 ZINC001109222234 790717223 /nfs/dbraw/zinc/71/72/23/790717223.db2.gz MJOZGTTYSOLLHL-KXNHARMFSA-N 1 2 360.436 -1.244 20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1COC(=O)N1)C2 ZINC001109222235 790717455 /nfs/dbraw/zinc/71/74/55/790717455.db2.gz MJOZGTTYSOLLHL-RHYQMDGZSA-N 1 2 360.436 -1.244 20 0 FAADLO CCS(=O)(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1COC(=O)N1)C2 ZINC001109222235 790717447 /nfs/dbraw/zinc/71/74/47/790717447.db2.gz MJOZGTTYSOLLHL-RHYQMDGZSA-N 1 2 360.436 -1.244 20 0 FAADLO CC(C)[C@@H](O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001109234056 790717716 /nfs/dbraw/zinc/71/77/16/790717716.db2.gz YOQJHKTVOLSDHE-LMOYCYGVSA-N 1 2 352.435 -1.317 20 0 FAADLO CC(C)[C@@H](O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001109234056 790717708 /nfs/dbraw/zinc/71/77/08/790717708.db2.gz YOQJHKTVOLSDHE-LMOYCYGVSA-N 1 2 352.435 -1.317 20 0 FAADLO CNC(=O)NCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC ZINC001109234759 790719148 /nfs/dbraw/zinc/71/91/48/790719148.db2.gz DCXBSYBBJMFKNY-VWYCJHECSA-N 1 2 354.411 -1.517 20 0 FAADLO CNC(=O)NCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC ZINC001109234759 790719139 /nfs/dbraw/zinc/71/91/39/790719139.db2.gz DCXBSYBBJMFKNY-VWYCJHECSA-N 1 2 354.411 -1.517 20 0 FAADLO Cc1nnc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNS(C)(=O)=O)[nH]1 ZINC001109248433 790717778 /nfs/dbraw/zinc/71/77/78/790717778.db2.gz JNUPYUZOIPAUKY-WOPDTQHZSA-N 1 2 356.452 -1.074 20 0 FAADLO Cc1nnc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNS(C)(=O)=O)[nH]1 ZINC001109248433 790717769 /nfs/dbraw/zinc/71/77/69/790717769.db2.gz JNUPYUZOIPAUKY-WOPDTQHZSA-N 1 2 356.452 -1.074 20 0 FAADLO 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CCS(=O)(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1COCCN1C)C2 ZINC001110451942 792112773 /nfs/dbraw/zinc/11/27/73/792112773.db2.gz BVQPIYZCAWZKIG-APIJFGDWSA-N 1 2 374.507 -1.022 20 0 FAADLO CCS(=O)(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1COCCN1C)C2 ZINC001110451942 792112769 /nfs/dbraw/zinc/11/27/69/792112769.db2.gz BVQPIYZCAWZKIG-APIJFGDWSA-N 1 2 374.507 -1.022 20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1COCCN1C)C2 ZINC001110451943 792112319 /nfs/dbraw/zinc/11/23/19/792112319.db2.gz BVQPIYZCAWZKIG-KBXIAJHMSA-N 1 2 374.507 -1.022 20 0 FAADLO CCS(=O)(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1COCCN1C)C2 ZINC001110451943 792112315 /nfs/dbraw/zinc/11/23/15/792112315.db2.gz BVQPIYZCAWZKIG-KBXIAJHMSA-N 1 2 374.507 -1.022 20 0 FAADLO CN1CCOC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(C)(=O)=O ZINC001110452393 792114779 /nfs/dbraw/zinc/11/47/79/792114779.db2.gz QOPYCXSVOHVNBB-MQYQWHSLSA-N 1 2 360.480 -1.412 20 0 FAADLO CN1CCOC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(C)(=O)=O ZINC001110452393 792114773 /nfs/dbraw/zinc/11/47/73/792114773.db2.gz QOPYCXSVOHVNBB-MQYQWHSLSA-N 1 2 360.480 -1.412 20 0 FAADLO CN1CCOC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(C)(=O)=O ZINC001110452394 792114362 /nfs/dbraw/zinc/11/43/62/792114362.db2.gz QOPYCXSVOHVNBB-YIYPIFLZSA-N 1 2 360.480 -1.412 20 0 FAADLO CN1CCOC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(C)(=O)=O ZINC001110452394 792114353 /nfs/dbraw/zinc/11/43/53/792114353.db2.gz QOPYCXSVOHVNBB-YIYPIFLZSA-N 1 2 360.480 -1.412 20 0 FAADLO CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCOCC1)C2 ZINC001110453967 792115847 /nfs/dbraw/zinc/11/58/47/792115847.db2.gz RDUGQBKWSPIPOO-UPJWGTAASA-N 1 2 353.423 -1.504 20 0 FAADLO CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCOCC1)C2 ZINC001110453967 792115838 /nfs/dbraw/zinc/11/58/38/792115838.db2.gz RDUGQBKWSPIPOO-UPJWGTAASA-N 1 2 353.423 -1.504 20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CN=NC1=O)C2 ZINC001110460706 792212868 /nfs/dbraw/zinc/21/28/68/792212868.db2.gz OYXNVFSLCUUDGD-UTUOFQBUSA-N 1 2 372.451 -1.356 20 0 FAADLO CCS(=O)(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CN=NC1=O)C2 ZINC001110460706 792212858 /nfs/dbraw/zinc/21/28/58/792212858.db2.gz OYXNVFSLCUUDGD-UTUOFQBUSA-N 1 2 372.451 -1.356 20 0 FAADLO CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CN=NC1=O)C2 ZINC001110461637 792217411 /nfs/dbraw/zinc/21/74/11/792217411.db2.gz BGFNEAZBTQWTDO-BBBLOLIVSA-N 1 2 351.367 -1.839 20 0 FAADLO CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CN=NC1=O)C2 ZINC001110461637 792217409 /nfs/dbraw/zinc/21/74/09/792217409.db2.gz BGFNEAZBTQWTDO-BBBLOLIVSA-N 1 2 351.367 -1.839 20 0 FAADLO Cn1ncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNS(C)(=O)=O)c1N ZINC001110467994 792238584 /nfs/dbraw/zinc/23/85/84/792238584.db2.gz SKMHUAQRSZFXLR-JLLWLGSASA-N 1 2 356.452 -1.113 20 0 FAADLO Cn1ncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNS(C)(=O)=O)c1N ZINC001110467994 792238578 /nfs/dbraw/zinc/23/85/78/792238578.db2.gz SKMHUAQRSZFXLR-JLLWLGSASA-N 1 2 356.452 -1.113 20 0 FAADLO CNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC1CC1 ZINC001110478696 792285369 /nfs/dbraw/zinc/28/53/69/792285369.db2.gz GIACMDMIDJSECB-UTUOFQBUSA-N 1 2 351.407 -1.168 20 0 FAADLO CNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC1CC1 ZINC001110478696 792285365 /nfs/dbraw/zinc/28/53/65/792285365.db2.gz GIACMDMIDJSECB-UTUOFQBUSA-N 1 2 351.407 -1.168 20 0 FAADLO CNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001110478902 792285984 /nfs/dbraw/zinc/28/59/84/792285984.db2.gz PCJQVXVEFUZZHZ-UTUOFQBUSA-N 1 2 351.407 -2.198 20 0 FAADLO CNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001110478902 792285983 /nfs/dbraw/zinc/28/59/83/792285983.db2.gz PCJQVXVEFUZZHZ-UTUOFQBUSA-N 1 2 351.407 -2.198 20 0 FAADLO CC(=O)N1CC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNS(C)(=O)=O)C1 ZINC001110482072 792298417 /nfs/dbraw/zinc/29/84/17/792298417.db2.gz SGMSFQRQKRVDIO-MCIONIFRSA-N 1 2 358.464 -1.265 20 0 FAADLO CC(=O)N1CC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNS(C)(=O)=O)C1 ZINC001110482072 792298409 /nfs/dbraw/zinc/29/84/09/792298409.db2.gz SGMSFQRQKRVDIO-MCIONIFRSA-N 1 2 358.464 -1.265 20 0 FAADLO CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CN(C(C)=O)C1)C2 ZINC001110482088 792299083 /nfs/dbraw/zinc/29/90/83/792299083.db2.gz UEPGZRMELVLGEV-UPJWGTAASA-N 1 2 351.407 -1.358 20 0 FAADLO CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CN(C(C)=O)C1)C2 ZINC001110482088 792299078 /nfs/dbraw/zinc/29/90/78/792299078.db2.gz UEPGZRMELVLGEV-UPJWGTAASA-N 1 2 351.407 -1.358 20 0 FAADLO CNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@@H]1CCOC1 ZINC001110483603 792301808 /nfs/dbraw/zinc/30/18/08/792301808.db2.gz XBIZXGQAIZJDNC-DGAVXFQQSA-N 1 2 352.435 -1.003 20 0 FAADLO CNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@@H]1CCOC1 ZINC001110483603 792301798 /nfs/dbraw/zinc/30/17/98/792301798.db2.gz XBIZXGQAIZJDNC-DGAVXFQQSA-N 1 2 352.435 -1.003 20 0 FAADLO CNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@H]1CCOC1 ZINC001110483604 792303390 /nfs/dbraw/zinc/30/33/90/792303390.db2.gz XBIZXGQAIZJDNC-SYQHCUMBSA-N 1 2 352.435 -1.003 20 0 FAADLO CNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@H]1CCOC1 ZINC001110483604 792303383 /nfs/dbraw/zinc/30/33/83/792303383.db2.gz XBIZXGQAIZJDNC-SYQHCUMBSA-N 1 2 352.435 -1.003 20 0 FAADLO CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(=O)n(C)o1)C2 ZINC001110483613 792303338 /nfs/dbraw/zinc/30/33/38/792303338.db2.gz XLLRBJQRKFHBIP-BBBLOLIVSA-N 1 2 351.363 -1.231 20 0 FAADLO CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(=O)n(C)o1)C2 ZINC001110483613 792303328 /nfs/dbraw/zinc/30/33/28/792303328.db2.gz XLLRBJQRKFHBIP-BBBLOLIVSA-N 1 2 351.363 -1.231 20 0 FAADLO Cn1oc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNS(C)(=O)=O)cc1=O ZINC001110484606 792309316 /nfs/dbraw/zinc/30/93/16/792309316.db2.gz GCIOEVBIPOQMAG-MXWKQRLJSA-N 1 2 358.420 -1.137 20 0 FAADLO Cn1oc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNS(C)(=O)=O)cc1=O ZINC001110484606 792309307 /nfs/dbraw/zinc/30/93/07/792309307.db2.gz GCIOEVBIPOQMAG-MXWKQRLJSA-N 1 2 358.420 -1.137 20 0 FAADLO CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)NC(N)=O)C2 ZINC001110484731 792308904 /nfs/dbraw/zinc/30/89/04/792308904.db2.gz KYIXUXJWWVIAID-ZDCRXTMVSA-N 1 2 354.411 -1.390 20 0 FAADLO CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)NC(N)=O)C2 ZINC001110484731 792308895 /nfs/dbraw/zinc/30/88/95/792308895.db2.gz KYIXUXJWWVIAID-ZDCRXTMVSA-N 1 2 354.411 -1.390 20 0 FAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOCC1 ZINC001110484802 792306880 /nfs/dbraw/zinc/30/68/80/792306880.db2.gz NFSLALDFKGYULI-LOWDOPEQSA-N 1 2 353.423 -1.377 20 0 FAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOCC1 ZINC001110484802 792306868 /nfs/dbraw/zinc/30/68/68/792306868.db2.gz NFSLALDFKGYULI-LOWDOPEQSA-N 1 2 353.423 -1.377 20 0 FAADLO CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)NC(N)=O)C2 ZINC001110484832 792307134 /nfs/dbraw/zinc/30/71/34/792307134.db2.gz ODHRLVHAZWBOEM-LOWDOPEQSA-N 1 2 355.439 -1.083 20 0 FAADLO CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)NC(N)=O)C2 ZINC001110484832 792307123 /nfs/dbraw/zinc/30/71/23/792307123.db2.gz ODHRLVHAZWBOEM-LOWDOPEQSA-N 1 2 355.439 -1.083 20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)NC(N)=O)C2 ZINC001110486224 792317468 /nfs/dbraw/zinc/31/74/68/792317468.db2.gz ASNKXEQLJUKVIB-QCNOEVLYSA-N 1 2 361.468 -1.296 20 0 FAADLO CCS(=O)(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)NC(N)=O)C2 ZINC001110486224 792317459 /nfs/dbraw/zinc/31/74/59/792317459.db2.gz ASNKXEQLJUKVIB-QCNOEVLYSA-N 1 2 361.468 -1.296 20 0 FAADLO COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)NC(N)=O)C2 ZINC001110486276 792317672 /nfs/dbraw/zinc/31/76/72/792317672.db2.gz CQXWHIAQZBOLQO-LOWDOPEQSA-N 1 2 355.439 -1.083 20 0 FAADLO COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)NC(N)=O)C2 ZINC001110486276 792317663 /nfs/dbraw/zinc/31/76/63/792317663.db2.gz CQXWHIAQZBOLQO-LOWDOPEQSA-N 1 2 355.439 -1.083 20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1COC(=O)N1)C2 ZINC001110506273 792398827 /nfs/dbraw/zinc/39/88/27/792398827.db2.gz MJOZGTTYSOLLHL-KKOKHZNYSA-N 1 2 360.436 -1.244 20 0 FAADLO CCS(=O)(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1COC(=O)N1)C2 ZINC001110506273 792398818 /nfs/dbraw/zinc/39/88/18/792398818.db2.gz MJOZGTTYSOLLHL-KKOKHZNYSA-N 1 2 360.436 -1.244 20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1COC(=O)N1)C2 ZINC001110506274 792399530 /nfs/dbraw/zinc/39/95/30/792399530.db2.gz MJOZGTTYSOLLHL-WYUUTHIRSA-N 1 2 360.436 -1.244 20 0 FAADLO CCS(=O)(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1COC(=O)N1)C2 ZINC001110506274 792399520 /nfs/dbraw/zinc/39/95/20/792399520.db2.gz MJOZGTTYSOLLHL-WYUUTHIRSA-N 1 2 360.436 -1.244 20 0 FAADLO CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1COC(=O)N1)C2 ZINC001110506424 792399851 /nfs/dbraw/zinc/39/98/51/792399851.db2.gz QVEDEIWIDKXADM-DBIOUOCHSA-N 1 2 353.379 -1.338 20 0 FAADLO CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1COC(=O)N1)C2 ZINC001110506424 792399843 /nfs/dbraw/zinc/39/98/43/792399843.db2.gz QVEDEIWIDKXADM-DBIOUOCHSA-N 1 2 353.379 -1.338 20 0 FAADLO CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1COC(=O)N1)C2 ZINC001110506425 792400658 /nfs/dbraw/zinc/40/06/58/792400658.db2.gz QVEDEIWIDKXADM-ZNSHCXBVSA-N 1 2 353.379 -1.338 20 0 FAADLO CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1COC(=O)N1)C2 ZINC001110506425 792400654 /nfs/dbraw/zinc/40/06/54/792400654.db2.gz QVEDEIWIDKXADM-ZNSHCXBVSA-N 1 2 353.379 -1.338 20 0 FAADLO CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1COC(=O)N1)C2 ZINC001110506497 792401408 /nfs/dbraw/zinc/40/14/08/792401408.db2.gz UILWPWRICGVSHL-LPWJVIDDSA-N 1 2 354.407 -1.031 20 0 FAADLO CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1COC(=O)N1)C2 ZINC001110506497 792401402 /nfs/dbraw/zinc/40/14/02/792401402.db2.gz UILWPWRICGVSHL-LPWJVIDDSA-N 1 2 354.407 -1.031 20 0 FAADLO CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1COC(=O)N1)C2 ZINC001110506498 792401144 /nfs/dbraw/zinc/40/11/44/792401144.db2.gz UILWPWRICGVSHL-NDBYEHHHSA-N 1 2 354.407 -1.031 20 0 FAADLO CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1COC(=O)N1)C2 ZINC001110506498 792401140 /nfs/dbraw/zinc/40/11/40/792401140.db2.gz UILWPWRICGVSHL-NDBYEHHHSA-N 1 2 354.407 -1.031 20 0 FAADLO COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1COC(=O)N1)C2 ZINC001110506650 792400604 /nfs/dbraw/zinc/40/06/04/792400604.db2.gz ZLFPDIDHNGFYNV-LPWJVIDDSA-N 1 2 354.407 -1.031 20 0 FAADLO COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1COC(=O)N1)C2 ZINC001110506650 792400599 /nfs/dbraw/zinc/40/05/99/792400599.db2.gz ZLFPDIDHNGFYNV-LPWJVIDDSA-N 1 2 354.407 -1.031 20 0 FAADLO COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1COC(=O)N1)C2 ZINC001110506651 792401270 /nfs/dbraw/zinc/40/12/70/792401270.db2.gz ZLFPDIDHNGFYNV-NDBYEHHHSA-N 1 2 354.407 -1.031 20 0 FAADLO COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1COC(=O)N1)C2 ZINC001110506651 792401265 /nfs/dbraw/zinc/40/12/65/792401265.db2.gz ZLFPDIDHNGFYNV-NDBYEHHHSA-N 1 2 354.407 -1.031 20 0 FAADLO CC(C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001110511663 792412237 /nfs/dbraw/zinc/41/22/37/792412237.db2.gz NSOBSEKGZHTPFX-UPJWGTAASA-N 1 2 352.435 -1.173 20 0 FAADLO CC(C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001110511663 792412231 /nfs/dbraw/zinc/41/22/31/792412231.db2.gz NSOBSEKGZHTPFX-UPJWGTAASA-N 1 2 352.435 -1.173 20 0 FAADLO CC(C)[C@@H](O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001110524466 792435769 /nfs/dbraw/zinc/43/57/69/792435769.db2.gz YOQJHKTVOLSDHE-NFFDBFGFSA-N 1 2 352.435 -1.317 20 0 FAADLO CC(C)[C@@H](O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001110524466 792435766 /nfs/dbraw/zinc/43/57/66/792435766.db2.gz YOQJHKTVOLSDHE-NFFDBFGFSA-N 1 2 352.435 -1.317 20 0 FAADLO CNC(=O)NCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC ZINC001110526326 792439147 /nfs/dbraw/zinc/43/91/47/792439147.db2.gz DCXBSYBBJMFKNY-MXWKQRLJSA-N 1 2 354.411 -1.517 20 0 FAADLO CNC(=O)NCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC ZINC001110526326 792439140 /nfs/dbraw/zinc/43/91/40/792439140.db2.gz DCXBSYBBJMFKNY-MXWKQRLJSA-N 1 2 354.411 -1.517 20 0 FAADLO Cc1nnc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNS(C)(=O)=O)[nH]1 ZINC001110535167 792460668 /nfs/dbraw/zinc/46/06/68/792460668.db2.gz JNUPYUZOIPAUKY-UTUOFQBUSA-N 1 2 356.452 -1.074 20 0 FAADLO Cc1nnc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNS(C)(=O)=O)[nH]1 ZINC001110535167 792460660 /nfs/dbraw/zinc/46/06/60/792460660.db2.gz JNUPYUZOIPAUKY-UTUOFQBUSA-N 1 2 356.452 -1.074 20 0 FAADLO CNS(=O)(=O)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O ZINC001110550124 792469889 /nfs/dbraw/zinc/46/98/89/792469889.db2.gz BOQYASSSFNJCNO-BBBLOLIVSA-N 1 2 361.424 -2.158 20 0 FAADLO CNS(=O)(=O)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O ZINC001110550124 792469883 /nfs/dbraw/zinc/46/98/83/792469883.db2.gz BOQYASSSFNJCNO-BBBLOLIVSA-N 1 2 361.424 -2.158 20 0 FAADLO CNS(=O)(=O)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnnn1C ZINC001110550330 792469608 /nfs/dbraw/zinc/46/96/08/792469608.db2.gz MHNDFKPOOJQHFT-RTXFEEFZSA-N 1 2 356.452 -1.024 20 0 FAADLO CNS(=O)(=O)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnnn1C ZINC001110550330 792469600 /nfs/dbraw/zinc/46/96/00/792469600.db2.gz MHNDFKPOOJQHFT-RTXFEEFZSA-N 1 2 356.452 -1.024 20 0 FAADLO CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CO[C@@H]1CCOC1)C2 ZINC001110560115 792475349 /nfs/dbraw/zinc/47/53/49/792475349.db2.gz YSOUHIJIMHHXKM-LPWJVIDDSA-N 1 2 354.407 -1.031 20 0 FAADLO CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CO[C@@H]1CCOC1)C2 ZINC001110560115 792475343 /nfs/dbraw/zinc/47/53/43/792475343.db2.gz YSOUHIJIMHHXKM-LPWJVIDDSA-N 1 2 354.407 -1.031 20 0 FAADLO CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CO[C@H]1CCOC1)C2 ZINC001110560116 792475185 /nfs/dbraw/zinc/47/51/85/792475185.db2.gz YSOUHIJIMHHXKM-XQHKEYJVSA-N 1 2 354.407 -1.031 20 0 FAADLO CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CO[C@H]1CCOC1)C2 ZINC001110560116 792475180 /nfs/dbraw/zinc/47/51/80/792475180.db2.gz YSOUHIJIMHHXKM-XQHKEYJVSA-N 1 2 354.407 -1.031 20 0 FAADLO CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)NC(N)=O)C2 ZINC001110562622 792476222 /nfs/dbraw/zinc/47/62/22/792476222.db2.gz WYSNNGCMJVMJEZ-DBIOUOCHSA-N 1 2 354.411 -1.390 20 0 FAADLO CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)NC(N)=O)C2 ZINC001110562622 792476216 /nfs/dbraw/zinc/47/62/16/792476216.db2.gz WYSNNGCMJVMJEZ-DBIOUOCHSA-N 1 2 354.411 -1.390 20 0 FAADLO CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)NC(N)=O)C2 ZINC001110562623 792476184 /nfs/dbraw/zinc/47/61/84/792476184.db2.gz WYSNNGCMJVMJEZ-ZDCRXTMVSA-N 1 2 354.411 -1.390 20 0 FAADLO CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)NC(N)=O)C2 ZINC001110562623 792476179 /nfs/dbraw/zinc/47/61/79/792476179.db2.gz WYSNNGCMJVMJEZ-ZDCRXTMVSA-N 1 2 354.411 -1.390 20 0 FAADLO COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncnn1)C2 ZINC001110566915 792476717 /nfs/dbraw/zinc/47/67/17/792476717.db2.gz PMXCHBNTGGECLC-UPJWGTAASA-N 1 2 351.411 -1.453 20 0 FAADLO COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncnn1)C2 ZINC001110566915 792476709 /nfs/dbraw/zinc/47/67/09/792476709.db2.gz PMXCHBNTGGECLC-UPJWGTAASA-N 1 2 351.411 -1.453 20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncnn1)C2 ZINC001110566960 792477198 /nfs/dbraw/zinc/47/71/98/792477198.db2.gz RLCMVAACFHAZTP-UTUOFQBUSA-N 1 2 357.440 -1.666 20 0 FAADLO CCS(=O)(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncnn1)C2 ZINC001110566960 792477192 /nfs/dbraw/zinc/47/71/92/792477192.db2.gz RLCMVAACFHAZTP-UTUOFQBUSA-N 1 2 357.440 -1.666 20 0 FAADLO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(N)=O)C1 ZINC001110573373 792478654 /nfs/dbraw/zinc/47/86/54/792478654.db2.gz AZDLABUGAMAILC-OOCWMUITSA-N 1 2 351.407 -1.183 20 0 FAADLO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(N)=O)C1 ZINC001110573373 792478649 /nfs/dbraw/zinc/47/86/49/792478649.db2.gz AZDLABUGAMAILC-OOCWMUITSA-N 1 2 351.407 -1.183 20 0 FAADLO COCC(=O)N[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O ZINC001110586248 792480598 /nfs/dbraw/zinc/48/05/98/792480598.db2.gz SIWJQXVZJVRJGD-DBIOUOCHSA-N 1 2 355.395 -1.946 20 0 FAADLO COCC(=O)N[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O ZINC001110586248 792480593 /nfs/dbraw/zinc/48/05/93/792480593.db2.gz SIWJQXVZJVRJGD-DBIOUOCHSA-N 1 2 355.395 -1.946 20 0 FAADLO COCC(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O ZINC001110586249 792480489 /nfs/dbraw/zinc/48/04/89/792480489.db2.gz SIWJQXVZJVRJGD-ZDCRXTMVSA-N 1 2 355.395 -1.946 20 0 FAADLO COCC(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O ZINC001110586249 792480487 /nfs/dbraw/zinc/48/04/87/792480487.db2.gz SIWJQXVZJVRJGD-ZDCRXTMVSA-N 1 2 355.395 -1.946 20 0 FAADLO CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CS(=O)(=O)C1)C2 ZINC001110592310 792480505 /nfs/dbraw/zinc/48/05/05/792480505.db2.gz XVNQWPBCTRAAEZ-KFWWJZLASA-N 1 2 373.475 -1.095 20 0 FAADLO CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CS(=O)(=O)C1)C2 ZINC001110592310 792480502 /nfs/dbraw/zinc/48/05/02/792480502.db2.gz XVNQWPBCTRAAEZ-KFWWJZLASA-N 1 2 373.475 -1.095 20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1nccn1)C2 ZINC001110601009 792481264 /nfs/dbraw/zinc/48/12/64/792481264.db2.gz GBZBAQOVSKCNHQ-UPJWGTAASA-N 1 2 356.452 -1.061 20 0 FAADLO CCS(=O)(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1nccn1)C2 ZINC001110601009 792481254 /nfs/dbraw/zinc/48/12/54/792481254.db2.gz GBZBAQOVSKCNHQ-UPJWGTAASA-N 1 2 356.452 -1.061 20 0 FAADLO CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC(=O)N(C)C1)C2 ZINC001110616868 792481289 /nfs/dbraw/zinc/48/12/89/792481289.db2.gz UHZVBJSXOKVYJW-KKOKHZNYSA-N 1 2 351.407 -1.358 20 0 FAADLO CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC(=O)N(C)C1)C2 ZINC001110616868 792481280 /nfs/dbraw/zinc/48/12/80/792481280.db2.gz UHZVBJSXOKVYJW-KKOKHZNYSA-N 1 2 351.407 -1.358 20 0 FAADLO CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC(=O)N(C)C1)C2 ZINC001110616869 792481234 /nfs/dbraw/zinc/48/12/34/792481234.db2.gz UHZVBJSXOKVYJW-QCNOEVLYSA-N 1 2 351.407 -1.358 20 0 FAADLO CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC(=O)N(C)C1)C2 ZINC001110616869 792481225 /nfs/dbraw/zinc/48/12/25/792481225.db2.gz UHZVBJSXOKVYJW-QCNOEVLYSA-N 1 2 351.407 -1.358 20 0 FAADLO Cn1nncc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCNS(C)(=O)=O)C2 ZINC001110617630 792481451 /nfs/dbraw/zinc/48/14/51/792481451.db2.gz FMPKRJWLCUUUMB-RTXFEEFZSA-N 1 2 356.452 -1.024 20 0 FAADLO Cn1nncc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCNS(C)(=O)=O)C2 ZINC001110617630 792481439 /nfs/dbraw/zinc/48/14/39/792481439.db2.gz FMPKRJWLCUUUMB-RTXFEEFZSA-N 1 2 356.452 -1.024 20 0 FAADLO CS(=O)(=O)NCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O ZINC001110617853 792481404 /nfs/dbraw/zinc/48/14/04/792481404.db2.gz KGNUTRKFGVFDOH-BBBLOLIVSA-N 1 2 361.424 -2.158 20 0 FAADLO CS(=O)(=O)NCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O ZINC001110617853 792481394 /nfs/dbraw/zinc/48/13/94/792481394.db2.gz KGNUTRKFGVFDOH-BBBLOLIVSA-N 1 2 361.424 -2.158 20 0 FAADLO 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CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC001118260800 792757540 /nfs/dbraw/zinc/75/75/40/792757540.db2.gz IRPMZNCKGXHKNB-PWSUYJOCSA-N 1 2 373.435 -1.550 20 0 FAADLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC001118260802 792757337 /nfs/dbraw/zinc/75/73/37/792757337.db2.gz IRPMZNCKGXHKNB-ZYHUDNBSSA-N 1 2 373.435 -1.550 20 0 FAADLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC001118261035 792757283 /nfs/dbraw/zinc/75/72/83/792757283.db2.gz NGCRQHMEQKTAHU-JTQLQIEISA-N 1 2 359.408 -1.938 20 0 FAADLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC001118261036 792757299 /nfs/dbraw/zinc/75/72/99/792757299.db2.gz NGCRQHMEQKTAHU-SNVBAGLBSA-N 1 2 359.408 -1.938 20 0 FAADLO NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1 ZINC001118335348 792763208 /nfs/dbraw/zinc/76/32/08/792763208.db2.gz XABWDGAXZVVCDD-GFCCVEGCSA-N 1 2 368.415 -1.450 20 0 FAADLO NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1 ZINC001118335348 792763200 /nfs/dbraw/zinc/76/32/00/792763200.db2.gz XABWDGAXZVVCDD-GFCCVEGCSA-N 1 2 368.415 -1.450 20 0 FAADLO CN1CCN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1=O ZINC001118354071 792765310 /nfs/dbraw/zinc/76/53/10/792765310.db2.gz WTVRIUBYELVGJJ-UHFFFAOYSA-N 1 2 374.463 -2.088 20 0 FAADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001118363748 792766228 /nfs/dbraw/zinc/76/62/28/792766228.db2.gz SXUACBDHNJDXRW-NEPJUHHUSA-N 1 2 369.447 -1.114 20 0 FAADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001118363749 792765873 /nfs/dbraw/zinc/76/58/73/792765873.db2.gz SXUACBDHNJDXRW-NWDGAFQWSA-N 1 2 369.447 -1.114 20 0 FAADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001118363750 792765892 /nfs/dbraw/zinc/76/58/92/792765892.db2.gz SXUACBDHNJDXRW-RYUDHWBXSA-N 1 2 369.447 -1.114 20 0 FAADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001118363751 792765987 /nfs/dbraw/zinc/76/59/87/792765987.db2.gz SXUACBDHNJDXRW-VXGBXAGGSA-N 1 2 369.447 -1.114 20 0 FAADLO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC001118385596 792766709 /nfs/dbraw/zinc/76/67/09/792766709.db2.gz DDBPWTYKDSDTFK-UHFFFAOYSA-N 1 2 373.479 -1.756 20 0 FAADLO CNS(=O)(=O)CCNC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001118403000 792766758 /nfs/dbraw/zinc/76/67/58/792766758.db2.gz JRJJJZBKVYOELE-SDDRHHMPSA-N 1 2 364.468 -1.734 20 0 FAADLO CNS(=O)(=O)CCNC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001118403000 792766752 /nfs/dbraw/zinc/76/67/52/792766752.db2.gz JRJJJZBKVYOELE-SDDRHHMPSA-N 1 2 364.468 -1.734 20 0 FAADLO CNS(=O)(=O)CCNC(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001118403001 792766650 /nfs/dbraw/zinc/76/66/50/792766650.db2.gz JRJJJZBKVYOELE-UTUOFQBUSA-N 1 2 364.468 -1.734 20 0 FAADLO CNS(=O)(=O)CCNC(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001118403001 792766640 /nfs/dbraw/zinc/76/66/40/792766640.db2.gz JRJJJZBKVYOELE-UTUOFQBUSA-N 1 2 364.468 -1.734 20 0 FAADLO COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)CC1 ZINC001118494992 792771178 /nfs/dbraw/zinc/77/11/78/792771178.db2.gz OQXFJAJVNKHBRE-KBPBESRZSA-N 1 2 352.435 -1.096 20 0 FAADLO COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)CC1 ZINC001118494993 792771245 /nfs/dbraw/zinc/77/12/45/792771245.db2.gz OQXFJAJVNKHBRE-KGLIPLIRSA-N 1 2 352.435 -1.096 20 0 FAADLO COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)CC1 ZINC001118494994 792771125 /nfs/dbraw/zinc/77/11/25/792771125.db2.gz OQXFJAJVNKHBRE-UONOGXRCSA-N 1 2 352.435 -1.096 20 0 FAADLO COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)CC1 ZINC001118494996 792771509 /nfs/dbraw/zinc/77/15/09/792771509.db2.gz OQXFJAJVNKHBRE-ZIAGYGMSSA-N 1 2 352.435 -1.096 20 0 FAADLO NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[N@H+]1CCC(CO)(CO)C1 ZINC001118501025 792772308 /nfs/dbraw/zinc/77/23/08/792772308.db2.gz GCRZMAVEEIMQMN-UHFFFAOYSA-N 1 2 369.443 -1.100 20 0 FAADLO NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[N@@H+]1CCC(CO)(CO)C1 ZINC001118501025 792772302 /nfs/dbraw/zinc/77/23/02/792772302.db2.gz GCRZMAVEEIMQMN-UHFFFAOYSA-N 1 2 369.443 -1.100 20 0 FAADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCC(O)(CO)CC2)C[C@H](C)O1 ZINC001118508847 792772244 /nfs/dbraw/zinc/77/22/44/792772244.db2.gz LPHQSOCVSOBAJH-OKILXGFUSA-N 1 2 357.451 -1.100 20 0 FAADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCC(O)(CO)CC2)C[C@H](C)O1 ZINC001118508847 792772234 /nfs/dbraw/zinc/77/22/34/792772234.db2.gz LPHQSOCVSOBAJH-OKILXGFUSA-N 1 2 357.451 -1.100 20 0 FAADLO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C[C@]1(C)CO ZINC001118513057 792771969 /nfs/dbraw/zinc/77/19/69/792771969.db2.gz BLIHEGUWZVMSNK-CKEIUWERSA-N 1 2 357.451 -1.385 20 0 FAADLO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C[C@@]1(C)CO ZINC001118513059 792772015 /nfs/dbraw/zinc/77/20/15/792772015.db2.gz BLIHEGUWZVMSNK-CPUCHLNUSA-N 1 2 357.451 -1.385 20 0 FAADLO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C[C@]1(C)CO ZINC001118513060 792772410 /nfs/dbraw/zinc/77/24/10/792772410.db2.gz BLIHEGUWZVMSNK-JKIFEVAISA-N 1 2 357.451 -1.385 20 0 FAADLO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C[C@@]1(C)CO ZINC001118513061 792772156 /nfs/dbraw/zinc/77/21/56/792772156.db2.gz BLIHEGUWZVMSNK-KEYYUXOJSA-N 1 2 357.451 -1.385 20 0 FAADLO O=C(C[N@H+]1CC[C@@H](Cn2ccnn2)C1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001118561063 792776576 /nfs/dbraw/zinc/77/65/76/792776576.db2.gz FMZAYAZPBSCGPL-NEPJUHHUSA-N 1 2 370.435 -1.387 20 0 FAADLO O=C(C[N@@H+]1CC[C@@H](Cn2ccnn2)C1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001118561063 792776569 /nfs/dbraw/zinc/77/65/69/792776569.db2.gz FMZAYAZPBSCGPL-NEPJUHHUSA-N 1 2 370.435 -1.387 20 0 FAADLO O=C(C[N@H+]1CC[C@H](Cn2ccnn2)C1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001118561064 792776554 /nfs/dbraw/zinc/77/65/54/792776554.db2.gz FMZAYAZPBSCGPL-NWDGAFQWSA-N 1 2 370.435 -1.387 20 0 FAADLO O=C(C[N@@H+]1CC[C@H](Cn2ccnn2)C1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001118561064 792776545 /nfs/dbraw/zinc/77/65/45/792776545.db2.gz FMZAYAZPBSCGPL-NWDGAFQWSA-N 1 2 370.435 -1.387 20 0 FAADLO O=C(C[N@H+]1CC[C@H](Cn2ccnn2)C1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001118561065 792776708 /nfs/dbraw/zinc/77/67/08/792776708.db2.gz FMZAYAZPBSCGPL-RYUDHWBXSA-N 1 2 370.435 -1.387 20 0 FAADLO O=C(C[N@@H+]1CC[C@H](Cn2ccnn2)C1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001118561065 792776696 /nfs/dbraw/zinc/77/66/96/792776696.db2.gz FMZAYAZPBSCGPL-RYUDHWBXSA-N 1 2 370.435 -1.387 20 0 FAADLO O=C(C[N@H+]1CC[C@@H](Cn2ccnn2)C1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001118561066 792776344 /nfs/dbraw/zinc/77/63/44/792776344.db2.gz FMZAYAZPBSCGPL-VXGBXAGGSA-N 1 2 370.435 -1.387 20 0 FAADLO O=C(C[N@@H+]1CC[C@@H](Cn2ccnn2)C1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001118561066 792776339 /nfs/dbraw/zinc/77/63/39/792776339.db2.gz FMZAYAZPBSCGPL-VXGBXAGGSA-N 1 2 370.435 -1.387 20 0 FAADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001118563582 792776485 /nfs/dbraw/zinc/77/64/85/792776485.db2.gz SQMSJGYXLIGOTD-RBSFLKMASA-N 1 2 352.391 -1.433 20 0 FAADLO C[C@H](CNC(=O)C(=O)N1CCC(O)(CO)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001118568529 792776895 /nfs/dbraw/zinc/77/68/95/792776895.db2.gz VAKUASYKCGVMHD-MCIONIFRSA-N 1 2 357.451 -1.054 20 0 FAADLO C[C@H](CNC(=O)C(=O)N1CCC(O)(CO)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001118568529 792776885 /nfs/dbraw/zinc/77/68/85/792776885.db2.gz VAKUASYKCGVMHD-MCIONIFRSA-N 1 2 357.451 -1.054 20 0 FAADLO C[C@@H](CNC(=O)C(=O)N1CCC(O)(CO)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001118568536 792776855 /nfs/dbraw/zinc/77/68/55/792776855.db2.gz VAKUASYKCGVMHD-MELADBBJSA-N 1 2 357.451 -1.054 20 0 FAADLO C[C@@H](CNC(=O)C(=O)N1CCC(O)(CO)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001118568536 792776844 /nfs/dbraw/zinc/77/68/44/792776844.db2.gz VAKUASYKCGVMHD-MELADBBJSA-N 1 2 357.451 -1.054 20 0 FAADLO NS(=O)(=O)CCOCCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001118605082 792778396 /nfs/dbraw/zinc/77/83/96/792778396.db2.gz ASKMYISDJXOIAX-GFCCVEGCSA-N 1 2 350.441 -1.592 20 0 FAADLO NS(=O)(=O)CCOCCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001118605083 792778156 /nfs/dbraw/zinc/77/81/56/792778156.db2.gz ASKMYISDJXOIAX-LBPRGKRZSA-N 1 2 350.441 -1.592 20 0 FAADLO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC001118619821 792779727 /nfs/dbraw/zinc/77/97/27/792779727.db2.gz MREKGORSZFMDJR-UHFFFAOYSA-N 1 2 358.424 -2.050 20 0 FAADLO C[C@@H]1CN(C(=O)C(=O)NCCCn2cc[nH+]c2)CCN1S(C)(=O)=O ZINC001118641464 792780817 /nfs/dbraw/zinc/78/08/17/792780817.db2.gz MJHRSZHAIZQGJW-GFCCVEGCSA-N 1 2 357.436 -1.118 20 0 FAADLO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC001118708201 792785742 /nfs/dbraw/zinc/78/57/42/792785742.db2.gz RXZZEAHMBPKNNV-UHFFFAOYSA-N 1 2 370.431 -1.354 20 0 FAADLO CNS(=O)(=O)CCN1CC[N@@H+](CCS(=O)(=O)NC)CC(O)C1 ZINC001118746919 792787216 /nfs/dbraw/zinc/78/72/16/792787216.db2.gz SHZZMIGQXDSHEX-UHFFFAOYSA-N 1 2 358.486 -2.937 20 0 FAADLO CNS(=O)(=O)CCN1CC[N@H+](CCS(=O)(=O)NC)CC(O)C1 ZINC001118746919 792787211 /nfs/dbraw/zinc/78/72/11/792787211.db2.gz SHZZMIGQXDSHEX-UHFFFAOYSA-N 1 2 358.486 -2.937 20 0 FAADLO CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](CS(=O)(=O)NC)C2)CC1 ZINC001118816829 792789238 /nfs/dbraw/zinc/78/92/38/792789238.db2.gz SCRFSHDSDOMGAE-CYBMUJFWSA-N 1 2 360.480 -1.062 20 0 FAADLO CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](CS(=O)(=O)NC)C2)CC1 ZINC001118816830 792789492 /nfs/dbraw/zinc/78/94/92/792789492.db2.gz SCRFSHDSDOMGAE-ZDUSSCGKSA-N 1 2 360.480 -1.062 20 0 FAADLO CC(C)(C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1)c1c[nH+]c[nH]1 ZINC001118819939 792789220 /nfs/dbraw/zinc/78/92/20/792789220.db2.gz MRLUNMJEJPSJSW-NEPJUHHUSA-N 1 2 356.448 -1.011 20 0 FAADLO CC(C)(C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1)c1c[nH+]c[nH]1 ZINC001118819940 792789337 /nfs/dbraw/zinc/78/93/37/792789337.db2.gz MRLUNMJEJPSJSW-NWDGAFQWSA-N 1 2 356.448 -1.011 20 0 FAADLO CC(C)(C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1)c1c[nH+]c[nH]1 ZINC001118819941 792789530 /nfs/dbraw/zinc/78/95/30/792789530.db2.gz MRLUNMJEJPSJSW-RYUDHWBXSA-N 1 2 356.448 -1.011 20 0 FAADLO CC(C)(C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1)c1c[nH+]c[nH]1 ZINC001118819942 792789471 /nfs/dbraw/zinc/78/94/71/792789471.db2.gz MRLUNMJEJPSJSW-VXGBXAGGSA-N 1 2 356.448 -1.011 20 0 FAADLO COC(=O)[C@@]1(OC)CCN(C(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)C1 ZINC001118839154 792789907 /nfs/dbraw/zinc/78/99/07/792789907.db2.gz YHZJPBKVWHWQKJ-BLLLJJGKSA-N 1 2 357.407 -1.698 20 0 FAADLO COC(=O)[C@]1(OC)CCN(C(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)C1 ZINC001118839156 792791071 /nfs/dbraw/zinc/79/10/71/792791071.db2.gz YHZJPBKVWHWQKJ-LRDDRELGSA-N 1 2 357.407 -1.698 20 0 FAADLO C[N@@H+](CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC001118903479 792795602 /nfs/dbraw/zinc/79/56/02/792795602.db2.gz LWSHIODAZGXISC-MCIONIFRSA-N 1 2 372.491 -1.487 20 0 FAADLO C[N@H+](CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC001118903479 792795597 /nfs/dbraw/zinc/79/55/97/792795597.db2.gz LWSHIODAZGXISC-MCIONIFRSA-N 1 2 372.491 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NC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1n1ccnn1 ZINC001128681730 790551324 /nfs/dbraw/zinc/55/13/24/790551324.db2.gz LMXQTYHGWFHNQR-VWYCJHECSA-N 1 2 350.383 -2.434 20 0 FAADLO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@@H]1n1ccnn1 ZINC001128682058 790550917 /nfs/dbraw/zinc/55/09/17/790550917.db2.gz UKADACUFTNALTL-MNOVXSKESA-N 1 2 350.408 -1.055 20 0 FAADLO NC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@@H]1n1ccnn1 ZINC001128682058 790550913 /nfs/dbraw/zinc/55/09/13/790550913.db2.gz UKADACUFTNALTL-MNOVXSKESA-N 1 2 350.408 -1.055 20 0 FAADLO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](n2ccnn2)C1 ZINC001128682119 790551275 /nfs/dbraw/zinc/55/12/75/790551275.db2.gz VQIPEUIGOFZFQX-AXFHLTTASA-N 1 2 352.399 -2.235 20 0 FAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](n2ccnn2)C1 ZINC001128682119 790551262 /nfs/dbraw/zinc/55/12/62/790551262.db2.gz VQIPEUIGOFZFQX-AXFHLTTASA-N 1 2 352.399 -2.235 20 0 FAADLO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](n2ccnn2)C1 ZINC001128682121 790551097 /nfs/dbraw/zinc/55/10/97/790551097.db2.gz VQIPEUIGOFZFQX-MXWKQRLJSA-N 1 2 352.399 -2.235 20 0 FAADLO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](n2ccnn2)C1 ZINC001128682121 790551087 /nfs/dbraw/zinc/55/10/87/790551087.db2.gz VQIPEUIGOFZFQX-MXWKQRLJSA-N 1 2 352.399 -2.235 20 0 FAADLO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1n1ccnn1 ZINC001128688530 790551179 /nfs/dbraw/zinc/55/11/79/790551179.db2.gz MUOUOIHMQPNFHX-MNOVXSKESA-N 1 2 350.383 -2.480 20 0 FAADLO NC(=O)NCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1n1ccnn1 ZINC001128688530 790551169 /nfs/dbraw/zinc/55/11/69/790551169.db2.gz MUOUOIHMQPNFHX-MNOVXSKESA-N 1 2 350.383 -2.480 20 0 FAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](n2ccnn2)C1 ZINC001128688603 790552029 /nfs/dbraw/zinc/55/20/29/790552029.db2.gz QJJWQYLGCAWDFV-MNOVXSKESA-N 1 2 352.399 -2.234 20 0 FAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](n2ccnn2)C1 ZINC001128688603 790552024 /nfs/dbraw/zinc/55/20/24/790552024.db2.gz QJJWQYLGCAWDFV-MNOVXSKESA-N 1 2 352.399 -2.234 20 0 FAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CN(C)C(C)=O)[C@@H](n2ccnn2)C1 ZINC001128729972 790552166 /nfs/dbraw/zinc/55/21/66/790552166.db2.gz AEOSFNRXMSUNSK-RTXFEEFZSA-N 1 2 351.411 -1.768 20 0 FAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CN(C)C(C)=O)[C@@H](n2ccnn2)C1 ZINC001128729972 790552159 /nfs/dbraw/zinc/55/21/59/790552159.db2.gz AEOSFNRXMSUNSK-RTXFEEFZSA-N 1 2 351.411 -1.768 20 0 FAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CN(C)C(C)=O)[C@@H](n2ccnn2)C1 ZINC001128729973 790552609 /nfs/dbraw/zinc/55/26/09/790552609.db2.gz AEOSFNRXMSUNSK-UHTWSYAYSA-N 1 2 351.411 -1.768 20 0 FAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CN(C)C(C)=O)[C@@H](n2ccnn2)C1 ZINC001128729973 790552602 /nfs/dbraw/zinc/55/26/02/790552602.db2.gz AEOSFNRXMSUNSK-UHTWSYAYSA-N 1 2 351.411 -1.768 20 0 FAADLO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1n1ccnn1 ZINC001128730656 790552583 /nfs/dbraw/zinc/55/25/83/790552583.db2.gz MDIXKQPVHVLQII-OLZOCXBDSA-N 1 2 351.411 -1.814 20 0 FAADLO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1n1ccnn1 ZINC001128730656 790552573 /nfs/dbraw/zinc/55/25/73/790552573.db2.gz MDIXKQPVHVLQII-OLZOCXBDSA-N 1 2 351.411 -1.814 20 0 FAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CN(C)C(C)=O)[C@@H](n2ccnn2)C1 ZINC001128731969 790552642 /nfs/dbraw/zinc/55/26/42/790552642.db2.gz XACRXIZGYBLRGE-AGIUHOORSA-N 1 2 351.411 -1.638 20 0 FAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CN(C)C(C)=O)[C@@H](n2ccnn2)C1 ZINC001128731969 790552632 /nfs/dbraw/zinc/55/26/32/790552632.db2.gz XACRXIZGYBLRGE-AGIUHOORSA-N 1 2 351.411 -1.638 20 0 FAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CN(C)C(C)=O)[C@@H](n2ccnn2)C1 ZINC001128731971 790552367 /nfs/dbraw/zinc/55/23/67/790552367.db2.gz XACRXIZGYBLRGE-UPJWGTAASA-N 1 2 351.411 -1.638 20 0 FAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CN(C)C(C)=O)[C@@H](n2ccnn2)C1 ZINC001128731971 790552359 /nfs/dbraw/zinc/55/23/59/790552359.db2.gz XACRXIZGYBLRGE-UPJWGTAASA-N 1 2 351.411 -1.638 20 0 FAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CNC(=O)OC)[C@@H](n2ccnn2)C1 ZINC001128746581 790553610 /nfs/dbraw/zinc/55/36/10/790553610.db2.gz ATYIPPZGWOTASA-AXFHLTTASA-N 1 2 353.383 -1.890 20 0 FAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CNC(=O)OC)[C@@H](n2ccnn2)C1 ZINC001128746581 790553602 /nfs/dbraw/zinc/55/36/02/790553602.db2.gz ATYIPPZGWOTASA-AXFHLTTASA-N 1 2 353.383 -1.890 20 0 FAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CNC(=O)OC)[C@@H](n2ccnn2)C1 ZINC001128746582 790553436 /nfs/dbraw/zinc/55/34/36/790553436.db2.gz ATYIPPZGWOTASA-MXWKQRLJSA-N 1 2 353.383 -1.890 20 0 FAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CNC(=O)OC)[C@@H](n2ccnn2)C1 ZINC001128746582 790553430 /nfs/dbraw/zinc/55/34/30/790553430.db2.gz ATYIPPZGWOTASA-MXWKQRLJSA-N 1 2 353.383 -1.890 20 0 FAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CNC(=O)OC)[C@@H](n2ccnn2)C1 ZINC001128746593 790553163 /nfs/dbraw/zinc/55/31/63/790553163.db2.gz BDXZOTSPCDYTHY-MXWKQRLJSA-N 1 2 353.383 -1.761 20 0 FAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CNC(=O)OC)[C@@H](n2ccnn2)C1 ZINC001128746593 790553155 /nfs/dbraw/zinc/55/31/55/790553155.db2.gz BDXZOTSPCDYTHY-MXWKQRLJSA-N 1 2 353.383 -1.761 20 0 FAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CNC(=O)OC)[C@@H](n2ccnn2)C1 ZINC001128746594 790553401 /nfs/dbraw/zinc/55/34/01/790553401.db2.gz BDXZOTSPCDYTHY-VWYCJHECSA-N 1 2 353.383 -1.761 20 0 FAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CNC(=O)OC)[C@@H](n2ccnn2)C1 ZINC001128746594 790553393 /nfs/dbraw/zinc/55/33/93/790553393.db2.gz BDXZOTSPCDYTHY-VWYCJHECSA-N 1 2 353.383 -1.761 20 0 FAADLO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1n1ccnn1 ZINC001128746921 790553255 /nfs/dbraw/zinc/55/32/55/790553255.db2.gz OQVRHOOBZDLMRW-MNOVXSKESA-N 1 2 353.383 -1.936 20 0 FAADLO COC(=O)NCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1n1ccnn1 ZINC001128746921 790553246 /nfs/dbraw/zinc/55/32/46/790553246.db2.gz OQVRHOOBZDLMRW-MNOVXSKESA-N 1 2 353.383 -1.936 20 0 FAADLO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnns2)[C@@H](n2ccnn2)C1 ZINC001128752193 790553125 /nfs/dbraw/zinc/55/31/25/790553125.db2.gz HURMSDMUTJQBAH-AXFHLTTASA-N 1 2 353.408 -1.208 20 0 FAADLO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnns2)[C@@H](n2ccnn2)C1 ZINC001128752193 790553120 /nfs/dbraw/zinc/55/31/20/790553120.db2.gz HURMSDMUTJQBAH-AXFHLTTASA-N 1 2 353.408 -1.208 20 0 FAADLO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnns2)[C@@H](n2ccnn2)C1 ZINC001128752194 790553313 /nfs/dbraw/zinc/55/33/13/790553313.db2.gz HURMSDMUTJQBAH-MXWKQRLJSA-N 1 2 353.408 -1.208 20 0 FAADLO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnns2)[C@@H](n2ccnn2)C1 ZINC001128752194 790553308 /nfs/dbraw/zinc/55/33/08/790553308.db2.gz HURMSDMUTJQBAH-MXWKQRLJSA-N 1 2 353.408 -1.208 20 0 FAADLO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1n1ccnn1)c1cnns1 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/nfs/dbraw/zinc/55/46/07/790554607.db2.gz OTFSBBPPBFFYLU-XQQFMLRXSA-N 1 2 357.436 -1.299 20 0 FAADLO CS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001128785561 790554602 /nfs/dbraw/zinc/55/46/02/790554602.db2.gz OTFSBBPPBFFYLU-XQQFMLRXSA-N 1 2 357.436 -1.299 20 0 FAADLO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1n1ccnn1 ZINC001128830198 790555583 /nfs/dbraw/zinc/55/55/83/790555583.db2.gz ODWJNBSUOVQAEI-NEPJUHHUSA-N 1 2 351.411 -1.766 20 0 FAADLO CCC(=O)NCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1n1ccnn1 ZINC001128830198 790555577 /nfs/dbraw/zinc/55/55/77/790555577.db2.gz ODWJNBSUOVQAEI-NEPJUHHUSA-N 1 2 351.411 -1.766 20 0 FAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)COCCOC)[C@@H](n2ccnn2)C1 ZINC001128834790 790555804 /nfs/dbraw/zinc/55/58/04/790555804.db2.gz RTRBQGDOEVDHID-AGIUHOORSA-N 1 2 354.411 -1.454 20 0 FAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)COCCOC)[C@@H](n2ccnn2)C1 ZINC001128834790 790555801 /nfs/dbraw/zinc/55/58/01/790555801.db2.gz 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CNC(=O)NCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1n1ccnn1 ZINC001129038126 790564177 /nfs/dbraw/zinc/56/41/77/790564177.db2.gz RKQGMYSPTNSNMA-MNOVXSKESA-N 1 2 352.399 -2.363 20 0 FAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129059840 790565514 /nfs/dbraw/zinc/56/55/14/790565514.db2.gz FJPFAFPAXZGDNT-MXWKQRLJSA-N 1 2 351.411 -1.605 20 0 FAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129059840 790565505 /nfs/dbraw/zinc/56/55/05/790565505.db2.gz FJPFAFPAXZGDNT-MXWKQRLJSA-N 1 2 351.411 -1.605 20 0 FAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129059841 790566057 /nfs/dbraw/zinc/56/60/57/790566057.db2.gz FJPFAFPAXZGDNT-VWYCJHECSA-N 1 2 351.411 -1.605 20 0 FAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129059841 790566051 /nfs/dbraw/zinc/56/60/51/790566051.db2.gz FJPFAFPAXZGDNT-VWYCJHECSA-N 1 2 351.411 -1.605 20 0 FAADLO COCCOCC[N@H+]1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](n2ccnn2)C1 ZINC001129088879 790567459 /nfs/dbraw/zinc/56/74/59/790567459.db2.gz DJGZMPJMZUNPRO-OLZOCXBDSA-N 1 2 350.383 -1.286 20 0 FAADLO COCCOCC[N@@H+]1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](n2ccnn2)C1 ZINC001129088879 790567449 /nfs/dbraw/zinc/56/74/49/790567449.db2.gz DJGZMPJMZUNPRO-OLZOCXBDSA-N 1 2 350.383 -1.286 20 0 FAADLO COCCOCC[N@H+]1C[C@@H](NC(=O)c2cn[nH]n2)[C@@H](n2ccnn2)C1 ZINC001129088879 790567441 /nfs/dbraw/zinc/56/74/41/790567441.db2.gz DJGZMPJMZUNPRO-OLZOCXBDSA-N 1 2 350.383 -1.286 20 0 FAADLO COCCOCC[N@@H+]1C[C@@H](NC(=O)c2cn[nH]n2)[C@@H](n2ccnn2)C1 ZINC001129088879 790567436 /nfs/dbraw/zinc/56/74/36/790567436.db2.gz DJGZMPJMZUNPRO-OLZOCXBDSA-N 1 2 350.383 -1.286 20 0 FAADLO CCC[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)S(N)(=O)=O ZINC001129133865 790566953 /nfs/dbraw/zinc/56/69/53/790566953.db2.gz OWOSIXVIMADZDP-GRYCIOLGSA-N 1 2 360.440 -1.931 20 0 FAADLO CCC[C@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)S(N)(=O)=O 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/nfs/dbraw/zinc/56/89/05/790568905.db2.gz OWVNEOFROQAOGO-NEPJUHHUSA-N 1 2 362.431 -1.082 20 0 FAADLO CS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(=O)CCCF)[C@@H](n2ccnn2)C1 ZINC001129165305 790568895 /nfs/dbraw/zinc/56/88/95/790568895.db2.gz OWVNEOFROQAOGO-NEPJUHHUSA-N 1 2 362.431 -1.082 20 0 FAADLO C[C@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001129175281 790568336 /nfs/dbraw/zinc/56/83/36/790568336.db2.gz VIVVSAHQZQVDOT-RVMXOQNASA-N 1 2 356.452 -1.175 20 0 FAADLO C[C@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001129175281 790568324 /nfs/dbraw/zinc/56/83/24/790568324.db2.gz VIVVSAHQZQVDOT-RVMXOQNASA-N 1 2 356.452 -1.175 20 0 FAADLO NC(=O)C(=O)N[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@@H]1n1ccnn1 ZINC001129209457 790570061 /nfs/dbraw/zinc/57/00/61/790570061.db2.gz FLFBOBDXKBGYSZ-HLTSFMKQSA-N 1 2 350.301 -1.582 20 0 FAADLO NC(=O)C(=O)N[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@@H]1n1ccnn1 ZINC001129209457 790570057 /nfs/dbraw/zinc/57/00/57/790570057.db2.gz 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CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC(=O)N(C)C)[C@@H](n2ccnn2)C1 ZINC001129312353 790576591 /nfs/dbraw/zinc/57/65/91/790576591.db2.gz BBOAZJKKBBYTQC-WOPDTQHZSA-N 1 2 351.411 -1.638 20 0 FAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC(=O)N(C)C)[C@@H](n2ccnn2)C1 ZINC001129312353 790576582 /nfs/dbraw/zinc/57/65/82/790576582.db2.gz BBOAZJKKBBYTQC-WOPDTQHZSA-N 1 2 351.411 -1.638 20 0 FAADLO CN(C)C(=O)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1n1ccnn1 ZINC001129312731 790575790 /nfs/dbraw/zinc/57/57/90/790575790.db2.gz MSOQRHKCPCEGEF-NEPJUHHUSA-N 1 2 351.411 -1.814 20 0 FAADLO CN(C)C(=O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1n1ccnn1 ZINC001129312731 790575781 /nfs/dbraw/zinc/57/57/81/790575781.db2.gz MSOQRHKCPCEGEF-NEPJUHHUSA-N 1 2 351.411 -1.814 20 0 FAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC(=O)N(C)C)[C@@H](n2ccnn2)C1 ZINC001129312882 790575925 /nfs/dbraw/zinc/57/59/25/790575925.db2.gz PVWVJVYZWITWRO-TUAOUCFPSA-N 1 2 351.411 -1.768 20 0 FAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC(=O)N(C)C)[C@@H](n2ccnn2)C1 ZINC001129312882 790575916 /nfs/dbraw/zinc/57/59/16/790575916.db2.gz PVWVJVYZWITWRO-TUAOUCFPSA-N 1 2 351.411 -1.768 20 0 FAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC(=O)N(C)C)[C@@H](n2ccnn2)C1 ZINC001129312883 790577429 /nfs/dbraw/zinc/57/74/29/790577429.db2.gz PVWVJVYZWITWRO-UTUOFQBUSA-N 1 2 351.411 -1.768 20 0 FAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC(=O)N(C)C)[C@@H](n2ccnn2)C1 ZINC001129312883 790577418 /nfs/dbraw/zinc/57/74/18/790577418.db2.gz PVWVJVYZWITWRO-UTUOFQBUSA-N 1 2 351.411 -1.768 20 0 FAADLO COCCOCC[N@H+]1C[C@@H](NC(=O)c2nnc[nH]2)[C@@H](n2ccnn2)C1 ZINC001129326525 790663931 /nfs/dbraw/zinc/66/39/31/790663931.db2.gz JWPWCOXJOBDWNQ-NEPJUHHUSA-N 1 2 350.383 -1.286 20 0 FAADLO COCCOCC[N@@H+]1C[C@@H](NC(=O)c2nnc[nH]2)[C@@H](n2ccnn2)C1 ZINC001129326525 790663919 /nfs/dbraw/zinc/66/39/19/790663919.db2.gz JWPWCOXJOBDWNQ-NEPJUHHUSA-N 1 2 350.383 -1.286 20 0 FAADLO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2nnc[nH]2)[C@@H](n2ccnn2)C1 ZINC001129375917 790710329 /nfs/dbraw/zinc/71/03/29/790710329.db2.gz LSGHOMIVMAJASU-TUAOUCFPSA-N 1 2 350.383 -2.012 20 0 FAADLO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2nnc[nH]2)[C@@H](n2ccnn2)C1 ZINC001129375917 790710317 /nfs/dbraw/zinc/71/03/17/790710317.db2.gz LSGHOMIVMAJASU-TUAOUCFPSA-N 1 2 350.383 -2.012 20 0 FAADLO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2nnc[nH]2)[C@@H](n2ccnn2)C1 ZINC001129375919 790710770 /nfs/dbraw/zinc/71/07/70/790710770.db2.gz LSGHOMIVMAJASU-UTUOFQBUSA-N 1 2 350.383 -2.012 20 0 FAADLO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2nnc[nH]2)[C@@H](n2ccnn2)C1 ZINC001129375919 790710761 /nfs/dbraw/zinc/71/07/61/790710761.db2.gz LSGHOMIVMAJASU-UTUOFQBUSA-N 1 2 350.383 -2.012 20 0 FAADLO O=C(Cc1nnc[nH]1)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1n1ccnn1 ZINC001129376196 790711943 /nfs/dbraw/zinc/71/19/43/790711943.db2.gz SHSFCKUSMISIHS-NEPJUHHUSA-N 1 2 350.383 -2.011 20 0 FAADLO O=C(Cc1nnc[nH]1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1n1ccnn1 ZINC001129376196 790711933 /nfs/dbraw/zinc/71/19/33/790711933.db2.gz SHSFCKUSMISIHS-NEPJUHHUSA-N 1 2 350.383 -2.011 20 0 FAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCNC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129428010 790757512 /nfs/dbraw/zinc/75/75/12/790757512.db2.gz NOVXPPPFBQXYQF-AXFHLTTASA-N 1 2 352.399 -2.188 20 0 FAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCNC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129428010 790757507 /nfs/dbraw/zinc/75/75/07/790757507.db2.gz NOVXPPPFBQXYQF-AXFHLTTASA-N 1 2 352.399 -2.188 20 0 FAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCNC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129428011 790757530 /nfs/dbraw/zinc/75/75/30/790757530.db2.gz NOVXPPPFBQXYQF-MXWKQRLJSA-N 1 2 352.399 -2.188 20 0 FAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCNC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129428011 790757523 /nfs/dbraw/zinc/75/75/23/790757523.db2.gz NOVXPPPFBQXYQF-MXWKQRLJSA-N 1 2 352.399 -2.188 20 0 FAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCNC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129428211 790757247 /nfs/dbraw/zinc/75/72/47/790757247.db2.gz UBZUHHDAQWYJNF-MXWKQRLJSA-N 1 2 352.399 -2.058 20 0 FAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCNC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129428211 790757240 /nfs/dbraw/zinc/75/72/40/790757240.db2.gz UBZUHHDAQWYJNF-MXWKQRLJSA-N 1 2 352.399 -2.058 20 0 FAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCNC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129428212 790757909 /nfs/dbraw/zinc/75/79/09/790757909.db2.gz UBZUHHDAQWYJNF-VWYCJHECSA-N 1 2 352.399 -2.058 20 0 FAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCNC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129428212 790757901 /nfs/dbraw/zinc/75/79/01/790757901.db2.gz UBZUHHDAQWYJNF-VWYCJHECSA-N 1 2 352.399 -2.058 20 0 FAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)CCNC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129428316 790758174 /nfs/dbraw/zinc/75/81/74/790758174.db2.gz XECOFORBHFGNCF-MNOVXSKESA-N 1 2 352.399 -2.234 20 0 FAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CCNC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129428316 790758164 /nfs/dbraw/zinc/75/81/64/790758164.db2.gz XECOFORBHFGNCF-MNOVXSKESA-N 1 2 352.399 -2.234 20 0 FAADLO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CN2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129433716 790758864 /nfs/dbraw/zinc/75/88/64/790758864.db2.gz OBGOIWGYCIOCNC-KFWWJZLASA-N 1 2 352.439 -1.277 20 0 FAADLO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CN2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129433716 790758858 /nfs/dbraw/zinc/75/88/58/790758858.db2.gz OBGOIWGYCIOCNC-KFWWJZLASA-N 1 2 352.439 -1.277 20 0 FAADLO COC[C@H](O)CN1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129433716 790758850 /nfs/dbraw/zinc/75/88/50/790758850.db2.gz OBGOIWGYCIOCNC-KFWWJZLASA-N 1 2 352.439 -1.277 20 0 FAADLO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CN2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129433717 790759525 /nfs/dbraw/zinc/75/95/25/790759525.db2.gz OBGOIWGYCIOCNC-ZNMIVQPWSA-N 1 2 352.439 -1.277 20 0 FAADLO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CN2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129433717 790759520 /nfs/dbraw/zinc/75/95/20/790759520.db2.gz OBGOIWGYCIOCNC-ZNMIVQPWSA-N 1 2 352.439 -1.277 20 0 FAADLO COC[C@@H](O)CN1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129433717 790759514 /nfs/dbraw/zinc/75/95/14/790759514.db2.gz OBGOIWGYCIOCNC-ZNMIVQPWSA-N 1 2 352.439 -1.277 20 0 FAADLO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CN(CCO)C[C@@H]1n1ccnn1 ZINC001129433801 790759577 /nfs/dbraw/zinc/75/95/77/790759577.db2.gz SOBLFDDSRFFOOF-KFWWJZLASA-N 1 2 352.439 -1.420 20 0 FAADLO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CN(CCO)C[C@@H]1n1ccnn1 ZINC001129433802 790759316 /nfs/dbraw/zinc/75/93/16/790759316.db2.gz SOBLFDDSRFFOOF-ZNMIVQPWSA-N 1 2 352.439 -1.420 20 0 FAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)CCCC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129484676 790761102 /nfs/dbraw/zinc/76/11/02/790761102.db2.gz AGQIBCJPWYVOPM-NEPJUHHUSA-N 1 2 351.411 -1.637 20 0 FAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CCCC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129484676 790761099 /nfs/dbraw/zinc/76/10/99/790761099.db2.gz AGQIBCJPWYVOPM-NEPJUHHUSA-N 1 2 351.411 -1.637 20 0 FAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCCC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129484931 790762252 /nfs/dbraw/zinc/76/22/52/790762252.db2.gz QBOOUYCSWSOJPU-TUAOUCFPSA-N 1 2 351.411 -1.590 20 0 FAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129484931 790762244 /nfs/dbraw/zinc/76/22/44/790762244.db2.gz QBOOUYCSWSOJPU-TUAOUCFPSA-N 1 2 351.411 -1.590 20 0 FAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCCC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129484932 790762520 /nfs/dbraw/zinc/76/25/20/790762520.db2.gz QBOOUYCSWSOJPU-UTUOFQBUSA-N 1 2 351.411 -1.590 20 0 FAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129484932 790762511 /nfs/dbraw/zinc/76/25/11/790762511.db2.gz QBOOUYCSWSOJPU-UTUOFQBUSA-N 1 2 351.411 -1.590 20 0 FAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCCC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129485105 790762291 /nfs/dbraw/zinc/76/22/91/790762291.db2.gz VFRFWZQHGKCANT-UTUOFQBUSA-N 1 2 351.411 -1.461 20 0 FAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCCC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129485105 790762281 /nfs/dbraw/zinc/76/22/81/790762281.db2.gz VFRFWZQHGKCANT-UTUOFQBUSA-N 1 2 351.411 -1.461 20 0 FAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCCC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129485106 790762218 /nfs/dbraw/zinc/76/22/18/790762218.db2.gz VFRFWZQHGKCANT-WOPDTQHZSA-N 1 2 351.411 -1.461 20 0 FAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCCC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129485106 790762211 /nfs/dbraw/zinc/76/22/11/790762211.db2.gz VFRFWZQHGKCANT-WOPDTQHZSA-N 1 2 351.411 -1.461 20 0 FAADLO COCCC(=O)N1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)[C@@H](n2ccnn2)C1 ZINC001129506349 790761076 /nfs/dbraw/zinc/76/10/76/790761076.db2.gz JDQIPAYLVRTIKJ-MNOVXSKESA-N 1 2 350.383 -1.722 20 0 FAADLO CC(=O)NCC(=O)N1C[C@@H]([NH2+]Cc2cnns2)[C@@H](n2ccnn2)C1 ZINC001129536703 790763439 /nfs/dbraw/zinc/76/34/39/790763439.db2.gz GCBLYIJTHSPGOZ-NEPJUHHUSA-N 1 2 350.408 -1.193 20 0 FAADLO CSCCC(=O)N1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)[C@@H](n2ccnn2)C1 ZINC001129552650 790763761 /nfs/dbraw/zinc/76/37/61/790763761.db2.gz BMCANFZULWYICI-MNOVXSKESA-N 1 2 366.451 -1.005 20 0 FAADLO NC(=O)NCC(=O)N1C[C@@H]([NH2+]Cc2cscn2)[C@@H](n2ccnn2)C1 ZINC001129556534 790763981 /nfs/dbraw/zinc/76/39/81/790763981.db2.gz PNOMUFZUODMSPM-MNOVXSKESA-N 1 2 350.408 -1.055 20 0 FAADLO CCOCC(=O)N1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)[C@@H](n2ccnn2)C1 ZINC001129569068 790764535 /nfs/dbraw/zinc/76/45/35/790764535.db2.gz POPWNZKPXHOVOQ-MNOVXSKESA-N 1 2 350.383 -1.722 20 0 FAADLO NC(=O)NCC(=O)N1C[C@@H]([NH2+]Cc2nccs2)[C@@H](n2ccnn2)C1 ZINC001129573432 790765354 /nfs/dbraw/zinc/76/53/54/790765354.db2.gz OUWZMRGDAPSELK-ZJUUUORDSA-N 1 2 350.408 -1.055 20 0 FAADLO Cc1nnc(C[NH2+][C@@H]2CN(C(=O)CNC(N)=O)C[C@@H]2n2ccnn2)s1 ZINC001129573446 790764671 /nfs/dbraw/zinc/76/46/71/790764671.db2.gz PESIKIQKAPAZRB-ZJUUUORDSA-N 1 2 365.423 -1.352 20 0 FAADLO NC(=O)NCC(=O)N1C[C@@H]([NH2+]Cc2cnns2)[C@@H](n2ccnn2)C1 ZINC001129578811 790764802 /nfs/dbraw/zinc/76/48/02/790764802.db2.gz PLLPFSKQXFZITJ-ZJUUUORDSA-N 1 2 351.396 -1.660 20 0 FAADLO CNC(=O)CC(=O)N1C[C@@H]([NH2+]Cc2cnns2)[C@@H](n2ccnn2)C1 ZINC001129775231 790773052 /nfs/dbraw/zinc/77/30/52/790773052.db2.gz UPVMTFCJLUGSGT-MNOVXSKESA-N 1 2 350.408 -1.193 20 0 FAADLO C[C@H](NC(N)=O)C(=O)N1C[C@@H]([NH2+]Cc2cnns2)[C@@H](n2ccnn2)C1 ZINC001129783391 790774570 /nfs/dbraw/zinc/77/45/70/790774570.db2.gz XKFMXDCBTRBKEY-GDPRMGEGSA-N 1 2 365.423 -1.272 20 0 FAADLO CNC(=O)NCC(=O)N1C[C@@H]([NH2+]Cc2cnns2)[C@@H](n2ccnn2)C1 ZINC001129884002 790778202 /nfs/dbraw/zinc/77/82/02/790778202.db2.gz FAPOYECFAPADFP-MNOVXSKESA-N 1 2 365.423 -1.400 20 0 FAADLO Cc1nn[nH]c1C(=O)N1C[C@@H]([NH2+]CCS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129954441 790781970 /nfs/dbraw/zinc/78/19/70/790781970.db2.gz NFORXEJJWUUVET-MNOVXSKESA-N 1 2 368.423 -1.595 20 0 FAADLO Cn1[nH]c(C[NH2+][C@@H]2CN(C(=O)CCCF)C[C@@H]2n2ccnn2)nc1=O ZINC001129969352 790782495 /nfs/dbraw/zinc/78/24/95/790782495.db2.gz OTJXWVDIHAHUPA-MNOVXSKESA-N 1 2 352.374 -1.009 20 0 FAADLO NC(=O)NCCC(=O)N1C[C@@H]([NH2+]Cc2cnns2)[C@@H](n2ccnn2)C1 ZINC001130118549 790792790 /nfs/dbraw/zinc/79/27/90/790792790.db2.gz KQONVFQUOVWNBR-MNOVXSKESA-N 1 2 365.423 -1.270 20 0 FAADLO CNS(=O)(=O)CC(=O)N1C[C@@H]([NH2+]Cc2ccon2)[C@@H](n2ccnn2)C1 ZINC001130132747 790793786 /nfs/dbraw/zinc/79/37/86/790793786.db2.gz NLBQRGQVTUXTQX-NEPJUHHUSA-N 1 2 369.407 -1.643 20 0 FAADLO COCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(=O)N(C)C)n1 ZINC001130173153 790797117 /nfs/dbraw/zinc/79/71/17/790797117.db2.gz IBZGCVBUUSURGY-QWRGUYRKSA-N 1 2 354.411 -1.382 20 0 FAADLO CNC(=O)NC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(C)=O)n[nH]1 ZINC001130173167 790796088 /nfs/dbraw/zinc/79/60/88/790796088.db2.gz IZTNWXJJWKRVLO-UWVGGRQHSA-N 1 2 353.383 -1.642 20 0 FAADLO CCNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)COC)n[nH]1 ZINC001130173298 790798452 /nfs/dbraw/zinc/79/84/52/790798452.db2.gz KIFMBNVIZQLXBP-QWRGUYRKSA-N 1 2 354.411 -1.335 20 0 FAADLO CC[C@@H]([NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)COC)n[nH]1)C(N)=O ZINC001130173302 790798829 /nfs/dbraw/zinc/79/88/29/790798829.db2.gz KLUJFABCALVQAX-AXFHLTTASA-N 1 2 354.411 -1.207 20 0 FAADLO CC[C@H]([NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)COC)n[nH]1)C(N)=O ZINC001130173303 790798488 /nfs/dbraw/zinc/79/84/88/790798488.db2.gz KLUJFABCALVQAX-DCAQKATOSA-N 1 2 354.411 -1.207 20 0 FAADLO CNC(=O)[C@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)COC)n[nH]1 ZINC001130173411 790798146 /nfs/dbraw/zinc/79/81/46/790798146.db2.gz PTQBIIXJWPLJBP-DCAQKATOSA-N 1 2 354.411 -1.336 20 0 FAADLO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)COC)n[nH]1 ZINC001130173412 790797626 /nfs/dbraw/zinc/79/76/26/790797626.db2.gz PTQBIIXJWPLJBP-VWYCJHECSA-N 1 2 354.411 -1.336 20 0 FAADLO CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+][C@@H](C)C(=O)NC(N)=O)n1 ZINC001130173459 790798081 /nfs/dbraw/zinc/79/80/81/790798081.db2.gz SBJJFVCPFVDOAU-HGNGGELXSA-N 1 2 353.383 -1.514 20 0 FAADLO CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+][C@H](C)C(=O)NC(N)=O)n1 ZINC001130173460 790798582 /nfs/dbraw/zinc/79/85/82/790798582.db2.gz SBJJFVCPFVDOAU-JEZHCXPESA-N 1 2 353.383 -1.514 20 0 FAADLO COCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+][C@@H]2CCNC2=O)n1 ZINC001130173471 790798412 /nfs/dbraw/zinc/79/84/12/790798412.db2.gz SPLXCCABDHHDIE-AXFHLTTASA-N 1 2 352.395 -1.582 20 0 FAADLO COCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+][C@H]2CCNC2=O)n1 ZINC001130173486 790797902 /nfs/dbraw/zinc/79/79/02/790797902.db2.gz SPLXCCABDHHDIE-DCAQKATOSA-N 1 2 352.395 -1.582 20 0 FAADLO COCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+][C@@H](C)C(N)=O)n1 ZINC001130175061 790796194 /nfs/dbraw/zinc/79/61/94/790796194.db2.gz AHFQEIKAWOQLNB-DCAQKATOSA-N 1 2 354.411 -1.207 20 0 FAADLO COCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+][C@H](C)C(N)=O)n1 ZINC001130175062 790796869 /nfs/dbraw/zinc/79/68/69/790796869.db2.gz AHFQEIKAWOQLNB-VWYCJHECSA-N 1 2 354.411 -1.207 20 0 FAADLO CNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCOC)n[nH]1 ZINC001130175325 790797035 /nfs/dbraw/zinc/79/70/35/790797035.db2.gz IWPWSDAXECEKDJ-QWRGUYRKSA-N 1 2 354.411 -1.335 20 0 FAADLO CC(=O)NCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)n1 ZINC001130177611 790796587 /nfs/dbraw/zinc/79/65/87/790796587.db2.gz KNJRIGUPOKQVDH-UWVGGRQHSA-N 1 2 353.383 -2.496 20 0 FAADLO CCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(=O)NC(N)=O)n1 ZINC001130180032 790796842 /nfs/dbraw/zinc/79/68/42/790796842.db2.gz XTZBCFFYHSVWKE-IUCAKERBSA-N 1 2 353.383 -1.512 20 0 FAADLO NC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CCCO2)n[nH]1 ZINC001130181568 790796989 /nfs/dbraw/zinc/79/69/89/790796989.db2.gz LPHBKQZSHIZTQI-AXFHLTTASA-N 1 2 352.395 -1.453 20 0 FAADLO NC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CCCO2)n[nH]1 ZINC001130181577 790796409 /nfs/dbraw/zinc/79/64/09/790796409.db2.gz LPHBKQZSHIZTQI-DCAQKATOSA-N 1 2 352.395 -1.453 20 0 FAADLO CNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CSC)n[nH]1 ZINC001130181937 790796344 /nfs/dbraw/zinc/79/63/44/790796344.db2.gz YMFDIGZWSMOKLC-UWVGGRQHSA-N 1 2 356.452 -1.008 20 0 FAADLO NC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CNC(N)=O)n[nH]1 ZINC001130182779 790800248 /nfs/dbraw/zinc/80/02/48/790800248.db2.gz BDEZKVOFUUOSHG-YUMQZZPRSA-N 1 2 354.371 -2.963 20 0 FAADLO COCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)n1 ZINC001130187323 790798219 /nfs/dbraw/zinc/79/82/19/790798219.db2.gz ZXFMXSAVMAMZCS-QWRGUYRKSA-N 1 2 354.411 -1.205 20 0 FAADLO CNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)OC)n[nH]1 ZINC001130187676 790798326 /nfs/dbraw/zinc/79/83/26/790798326.db2.gz CWJGQQGQHDQKAD-DCAQKATOSA-N 1 2 354.411 -1.336 20 0 FAADLO CNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)OC)n[nH]1 ZINC001130187677 790798658 /nfs/dbraw/zinc/79/86/58/790798658.db2.gz CWJGQQGQHDQKAD-VWYCJHECSA-N 1 2 354.411 -1.336 20 0 FAADLO NC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cnsn2)n[nH]1 ZINC001130187795 790797533 /nfs/dbraw/zinc/79/75/33/790797533.db2.gz JRTYCYYTGZMZIK-CBAPKCEASA-N 1 2 366.407 -1.466 20 0 FAADLO CCOCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(=O)NC)n1 ZINC001130187935 790798505 /nfs/dbraw/zinc/79/85/05/790798505.db2.gz QZDZLKPFXUHPTO-QWRGUYRKSA-N 1 2 354.411 -1.335 20 0 FAADLO CCO[C@@H](C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)n1 ZINC001130187985 790798171 /nfs/dbraw/zinc/79/81/71/790798171.db2.gz SPWFFABVKWBERJ-DCAQKATOSA-N 1 2 354.411 -1.207 20 0 FAADLO CCO[C@H](C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)n1 ZINC001130187986 790798522 /nfs/dbraw/zinc/79/85/22/790798522.db2.gz SPWFFABVKWBERJ-VWYCJHECSA-N 1 2 354.411 -1.207 20 0 FAADLO NC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cnns2)n[nH]1 ZINC001130188033 790798702 /nfs/dbraw/zinc/79/87/02/790798702.db2.gz VYTBKFIPXCOSFZ-YUMQZZPRSA-N 1 2 366.407 -1.466 20 0 FAADLO CCOCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+][C@@H](C)C(N)=O)n1 ZINC001130188050 790798805 /nfs/dbraw/zinc/79/88/05/790798805.db2.gz WOBPTWVQYBULOX-DCAQKATOSA-N 1 2 354.411 -1.207 20 0 FAADLO CCOCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+][C@H](C)C(N)=O)n1 ZINC001130188051 790797943 /nfs/dbraw/zinc/79/79/43/790797943.db2.gz WOBPTWVQYBULOX-VWYCJHECSA-N 1 2 354.411 -1.207 20 0 FAADLO CS(=O)(=O)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCF)n1 ZINC001130190563 790797722 /nfs/dbraw/zinc/79/77/22/790797722.db2.gz GCKFOCJZVXUKKP-UWVGGRQHSA-N 1 2 363.415 -1.103 20 0 FAADLO CCCOCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)n1 ZINC001130190741 790798540 /nfs/dbraw/zinc/79/85/40/790798540.db2.gz MHHGDXBUWPXSJJ-QWRGUYRKSA-N 1 2 354.411 -1.205 20 0 FAADLO NC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CCOC2)n[nH]1 ZINC001130190768 790798250 /nfs/dbraw/zinc/79/82/50/790798250.db2.gz NGFGPTYBDVCEGS-DCAQKATOSA-N 1 2 352.395 -1.595 20 0 FAADLO NC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CCOC2)n[nH]1 ZINC001130190769 790798433 /nfs/dbraw/zinc/79/84/33/790798433.db2.gz NGFGPTYBDVCEGS-VWYCJHECSA-N 1 2 352.395 -1.595 20 0 FAADLO CC(C)OCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)n1 ZINC001130190810 790798638 /nfs/dbraw/zinc/79/86/38/790798638.db2.gz OPZWSHUBTOPUFR-QWRGUYRKSA-N 1 2 354.411 -1.207 20 0 FAADLO CC[C@@H](OC)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)n1 ZINC001130192968 790798370 /nfs/dbraw/zinc/79/83/70/790798370.db2.gz CPFUHEHWMAPESP-AXFHLTTASA-N 1 2 354.411 -1.207 20 0 FAADLO CC[C@H](OC)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)n1 ZINC001130192969 790797861 /nfs/dbraw/zinc/79/78/61/790797861.db2.gz CPFUHEHWMAPESP-DCAQKATOSA-N 1 2 354.411 -1.207 20 0 FAADLO CO[C@@H](C)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)n1 ZINC001130193081 790797693 /nfs/dbraw/zinc/79/76/93/790797693.db2.gz HRGMCSVMHNAUOV-DCAQKATOSA-N 1 2 354.411 -1.207 20 0 FAADLO CO[C@H](C)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)n1 ZINC001130193082 790798128 /nfs/dbraw/zinc/79/81/28/790798128.db2.gz HRGMCSVMHNAUOV-VWYCJHECSA-N 1 2 354.411 -1.207 20 0 FAADLO CCOCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)n1 ZINC001130193109 790798736 /nfs/dbraw/zinc/79/87/36/790798736.db2.gz IZOVYHYZSIALOA-QWRGUYRKSA-N 1 2 354.411 -1.205 20 0 FAADLO C[C@H]([NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC(N)=O)n[nH]1)C(N)=O ZINC001130198478 790798054 /nfs/dbraw/zinc/79/80/54/790798054.db2.gz MKIRREHNFNWPPZ-CIUDSAMLSA-N 1 2 353.383 -2.368 20 0 FAADLO C[C@@H]([NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC(N)=O)n[nH]1)C(N)=O ZINC001130198479 790798308 /nfs/dbraw/zinc/79/83/08/790798308.db2.gz MKIRREHNFNWPPZ-VGMNWLOBSA-N 1 2 353.383 -2.368 20 0 FAADLO CNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC(N)=O)n[nH]1 ZINC001130198482 790799453 /nfs/dbraw/zinc/79/94/53/790799453.db2.gz MOMBFQZNJPPMEU-IUCAKERBSA-N 1 2 353.383 -2.496 20 0 FAADLO COC[C@H](C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)n1 ZINC001130202908 790802445 /nfs/dbraw/zinc/80/24/45/790802445.db2.gz NWOHMLKKDYKPGB-DCAQKATOSA-N 1 2 354.411 -1.349 20 0 FAADLO COC[C@@H](C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)n1 ZINC001130202910 790802210 /nfs/dbraw/zinc/80/22/10/790802210.db2.gz NWOHMLKKDYKPGB-VWYCJHECSA-N 1 2 354.411 -1.349 20 0 FAADLO CNC(=O)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)n1 ZINC001130205400 790800497 /nfs/dbraw/zinc/80/04/97/790800497.db2.gz YHMTUPMNBORJRJ-IUCAKERBSA-N 1 2 353.383 -2.496 20 0 FAADLO CC(C)[C@@H](O)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)n1 ZINC001130207813 790802635 /nfs/dbraw/zinc/80/26/35/790802635.db2.gz QUSRYWIUXFPYDL-OUJBWJOFSA-N 1 2 354.411 -1.615 20 0 FAADLO CC(C)(O)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)n1 ZINC001130209667 790801421 /nfs/dbraw/zinc/80/14/21/790801421.db2.gz JQEZVPZOAKPPPI-UWVGGRQHSA-N 1 2 354.411 -1.471 20 0 FAADLO NC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2csnn2)n[nH]1 ZINC001130225015 790801994 /nfs/dbraw/zinc/80/19/94/790801994.db2.gz NRBQXWIQUDFYHB-CBAPKCEASA-N 1 2 366.407 -1.466 20 0 FAADLO NC(=O)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]Cc2cnon2)n[nH]1 ZINC001130232174 790801905 /nfs/dbraw/zinc/80/19/05/790801905.db2.gz BJZNAGPMHWPCBY-IUCAKERBSA-N 1 2 350.339 -2.049 20 0 FAADLO NC(=O)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]Cc2cnon2)[nH]1 ZINC001130232174 790801889 /nfs/dbraw/zinc/80/18/89/790801889.db2.gz BJZNAGPMHWPCBY-IUCAKERBSA-N 1 2 350.339 -2.049 20 0 FAADLO CC[C@H]([NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(N)=O)n[nH]1)C(N)=O ZINC001130232196 790802971 /nfs/dbraw/zinc/80/29/71/790802971.db2.gz CGAQZRKWMDWOGX-CIUDSAMLSA-N 1 2 353.383 -2.368 20 0 FAADLO CC[C@@H]([NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(N)=O)n[nH]1)C(N)=O ZINC001130232197 790804678 /nfs/dbraw/zinc/80/46/78/790804678.db2.gz CGAQZRKWMDWOGX-YIZRAAEISA-N 1 2 353.383 -2.368 20 0 FAADLO CCNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(N)=O)n[nH]1 ZINC001130232496 790803354 /nfs/dbraw/zinc/80/33/54/790803354.db2.gz IUBWOZLFYROIBO-IUCAKERBSA-N 1 2 353.383 -2.496 20 0 FAADLO NC(=O)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]Cc2cnns2)n1 ZINC001130232651 790803898 /nfs/dbraw/zinc/80/38/98/790803898.db2.gz MQHDBTRVUKHOAM-IUCAKERBSA-N 1 2 366.407 -1.580 20 0 FAADLO NC(=O)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]Cc2nncs2)n[nH]1 ZINC001130232677 790804888 /nfs/dbraw/zinc/80/48/88/790804888.db2.gz NFLJYBABODSMBN-YUMQZZPRSA-N 1 2 366.407 -1.580 20 0 FAADLO NC(=O)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]Cc2nncs2)[nH]1 ZINC001130232677 790804874 /nfs/dbraw/zinc/80/48/74/790804874.db2.gz NFLJYBABODSMBN-YUMQZZPRSA-N 1 2 366.407 -1.580 20 0 FAADLO CNC(=O)[C@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(N)=O)n[nH]1 ZINC001130232732 790803705 /nfs/dbraw/zinc/80/37/05/790803705.db2.gz POWDOMFCEQNBQF-CIUDSAMLSA-N 1 2 353.383 -2.497 20 0 FAADLO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(N)=O)n[nH]1 ZINC001130232733 790804113 /nfs/dbraw/zinc/80/41/13/790804113.db2.gz POWDOMFCEQNBQF-VGMNWLOBSA-N 1 2 353.383 -2.497 20 0 FAADLO CN(C)C(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(N)=O)n[nH]1 ZINC001130233031 790803648 /nfs/dbraw/zinc/80/36/48/790803648.db2.gz WBOLBRREUJHHBM-IUCAKERBSA-N 1 2 353.383 -2.544 20 0 FAADLO NC(=O)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+][C@H]2CCNC2=O)n1 ZINC001130233117 790804477 /nfs/dbraw/zinc/80/44/77/790804477.db2.gz YOGPMVQMUFSSGR-CIUDSAMLSA-N 1 2 351.367 -2.743 20 0 FAADLO NC(=O)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+][C@@H]2CCNC2=O)n1 ZINC001130233118 790804559 /nfs/dbraw/zinc/80/45/59/790804559.db2.gz YOGPMVQMUFSSGR-YIZRAAEISA-N 1 2 351.367 -2.743 20 0 FAADLO NC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cnon2)n[nH]1 ZINC001130244919 790804179 /nfs/dbraw/zinc/80/41/79/790804179.db2.gz QRYZBERJBHJKJM-CBAPKCEASA-N 1 2 350.339 -1.935 20 0 FAADLO O=C(Cc1nc[nH]n1)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCO)[nH]1 ZINC001130246718 790803731 /nfs/dbraw/zinc/80/37/31/790803731.db2.gz NKCVIQNZFXQBBI-UWVGGRQHSA-N 1 2 350.383 -1.764 20 0 FAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)nc1=O ZINC001130258837 790806281 /nfs/dbraw/zinc/80/62/81/790806281.db2.gz QNQNMZWGCLPERV-BDAKNGLRSA-N 1 2 353.301 -1.340 20 0 FAADLO CCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC(=O)NC(N)=O)O2)n[nH]1 ZINC001130745133 790814549 /nfs/dbraw/zinc/81/45/49/790814549.db2.gz RMHFSXBRJAQLAS-DTWKUNHWSA-N 1 2 353.383 -1.165 20 0 FAADLO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(C)=O)n2)O1 ZINC001130747225 790814458 /nfs/dbraw/zinc/81/44/58/790814458.db2.gz SYTYROAAAWMTFR-VHSXEESVSA-N 1 2 353.383 -1.294 20 0 FAADLO CC(=O)NCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC(N)=O)O2)n[nH]1 ZINC001130747608 790814521 /nfs/dbraw/zinc/81/45/21/790814521.db2.gz ZUBLXOBPLNTIJM-VHSXEESVSA-N 1 2 353.383 -2.148 20 0 FAADLO COCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC(=O)N(C)C)O2)n[nH]1 ZINC001130752869 790814191 /nfs/dbraw/zinc/81/41/91/790814191.db2.gz FHQXOSPBMBVWAY-WDEREUQCSA-N 1 2 354.411 -1.035 20 0 FAADLO COCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+][C@H]3CCNC3=O)O2)n[nH]1 ZINC001130752905 790814131 /nfs/dbraw/zinc/81/41/31/790814131.db2.gz HARINDTVSPWWCK-GARJFASQSA-N 1 2 352.395 -1.235 20 0 FAADLO COCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+][C@@H]3CCNC3=O)O2)n[nH]1 ZINC001130752906 790814973 /nfs/dbraw/zinc/81/49/73/790814973.db2.gz HARINDTVSPWWCK-HBNTYKKESA-N 1 2 352.395 -1.235 20 0 FAADLO NC(=O)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCCO3)n2)O1 ZINC001130753082 790814624 /nfs/dbraw/zinc/81/46/24/790814624.db2.gz POMODURODIAWEP-AXFHLTTASA-N 1 2 352.395 -1.105 20 0 FAADLO NC(=O)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCCO3)n2)O1 ZINC001130753083 790815089 /nfs/dbraw/zinc/81/50/89/790815089.db2.gz POMODURODIAWEP-HBNTYKKESA-N 1 2 352.395 -1.105 20 0 FAADLO NC(=O)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CNC(N)=O)n2)O1 ZINC001130756459 790815024 /nfs/dbraw/zinc/81/50/24/790815024.db2.gz IHEHDAFMFVUEKJ-JGVFFNPUSA-N 1 2 354.371 -2.616 20 0 FAADLO NC(=O)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cnns3)n2)O1 ZINC001130759685 790814711 /nfs/dbraw/zinc/81/47/11/790814711.db2.gz FRIBSWLAXCOBEB-JGVFFNPUSA-N 1 2 366.407 -1.119 20 0 FAADLO NC(=O)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cnsn3)n2)O1 ZINC001130760017 790814854 /nfs/dbraw/zinc/81/48/54/790814854.db2.gz UTIYHWKEVGTZMM-IONNQARKSA-N 1 2 366.407 -1.119 20 0 FAADLO NC(=O)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCOC3)n2)O1 ZINC001130761793 790814924 /nfs/dbraw/zinc/81/49/24/790814924.db2.gz GMHAHTDNPINVKQ-GARJFASQSA-N 1 2 352.395 -1.248 20 0 FAADLO NC(=O)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCOC3)n2)O1 ZINC001130761796 790814487 /nfs/dbraw/zinc/81/44/87/790814487.db2.gz GMHAHTDNPINVKQ-OUAUKWLOSA-N 1 2 352.395 -1.248 20 0 FAADLO CNC(=O)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC(N)=O)n2)O1 ZINC001130769277 790815315 /nfs/dbraw/zinc/81/53/15/790815315.db2.gz BBDHWLWFOXCFHZ-DTWKUNHWSA-N 1 2 353.383 -2.148 20 0 FAADLO COC[C@H](C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC(N)=O)O2)n[nH]1 ZINC001130769958 790815425 /nfs/dbraw/zinc/81/54/25/790815425.db2.gz RQCJNPJTHDKBCF-GARJFASQSA-N 1 2 354.411 -1.002 20 0 FAADLO COC[C@@H](C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC(N)=O)O2)n[nH]1 ZINC001130769959 790815812 /nfs/dbraw/zinc/81/58/12/790815812.db2.gz RQCJNPJTHDKBCF-OUAUKWLOSA-N 1 2 354.411 -1.002 20 0 FAADLO C[C@@H]([NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC(N)=O)n2)O1)C(N)=O ZINC001130770008 790815867 /nfs/dbraw/zinc/81/58/67/790815867.db2.gz UDRNHFMPHPLVCY-HRDYMLBCSA-N 1 2 353.383 -2.020 20 0 FAADLO C[C@H]([NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC(N)=O)n2)O1)C(N)=O ZINC001130770009 790815397 /nfs/dbraw/zinc/81/53/97/790815397.db2.gz UDRNHFMPHPLVCY-XHNCKOQMSA-N 1 2 353.383 -2.020 20 0 FAADLO CC(C)[C@@H](O)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC(N)=O)O2)n[nH]1 ZINC001130778146 790816478 /nfs/dbraw/zinc/81/64/78/790816478.db2.gz IBLHSDVYGSZGOV-OPQQBVKSSA-N 1 2 354.411 -1.267 20 0 FAADLO CNC(=O)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC(N)=O)O2)n[nH]1 ZINC001130778467 790816308 /nfs/dbraw/zinc/81/63/08/790816308.db2.gz ZNRWFDPSFPTGAI-DTWKUNHWSA-N 1 2 353.383 -2.148 20 0 FAADLO CC(C)(O)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC(N)=O)O2)n[nH]1 ZINC001130781278 790815917 /nfs/dbraw/zinc/81/59/17/790815917.db2.gz WQIBJGHTDZRDLM-VHSXEESVSA-N 1 2 354.411 -1.123 20 0 FAADLO NC(=O)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3csnn3)n2)O1 ZINC001130793786 790815352 /nfs/dbraw/zinc/81/53/52/790815352.db2.gz AHKPFFZAEOJDNW-IONNQARKSA-N 1 2 366.407 -1.119 20 0 FAADLO NC(=O)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]Cc3nncs3)O2)n[nH]1 ZINC001130806518 790815602 /nfs/dbraw/zinc/81/56/02/790815602.db2.gz DRSCYDPGSIINOY-JGVFFNPUSA-N 1 2 366.407 -1.232 20 0 FAADLO CN(C)C(=O)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(N)=O)n2)O1 ZINC001130806534 790815997 /nfs/dbraw/zinc/81/59/97/790815997.db2.gz FNQKFCAAGQMOTM-DTWKUNHWSA-N 1 2 353.383 -2.196 20 0 FAADLO NC(=O)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]Cc3cnon3)O2)n[nH]1 ZINC001130806687 790817601 /nfs/dbraw/zinc/81/76/01/790817601.db2.gz IOPAVVTUAHKDMA-DTWKUNHWSA-N 1 2 350.339 -1.701 20 0 FAADLO NC(=O)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+][C@@H]3CCNC3=O)O2)n[nH]1 ZINC001130806775 790817470 /nfs/dbraw/zinc/81/74/70/790817470.db2.gz LAQYXSKCRPTLKS-DJLDLDEBSA-N 1 2 351.367 -2.396 20 0 FAADLO NC(=O)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+][C@H]3CCNC3=O)O2)n[nH]1 ZINC001130806778 790817848 /nfs/dbraw/zinc/81/78/48/790817848.db2.gz LAQYXSKCRPTLKS-XHNCKOQMSA-N 1 2 351.367 -2.396 20 0 FAADLO CCNC(=O)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(N)=O)n2)O1 ZINC001130807464 790817826 /nfs/dbraw/zinc/81/78/26/790817826.db2.gz YEIUCBHKQRHOHT-DTWKUNHWSA-N 1 2 353.383 -2.148 20 0 FAADLO NC(=O)C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]Cc3cnns3)O2)n1 ZINC001130807509 790817253 /nfs/dbraw/zinc/81/72/53/790817253.db2.gz ZWIBBHMAZKGQCG-IONNQARKSA-N 1 2 366.407 -1.232 20 0 FAADLO NC(=O)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cnon3)n2)O1 ZINC001130811797 790817291 /nfs/dbraw/zinc/81/72/91/790817291.db2.gz KKBGCDJLCLJFGR-IONNQARKSA-N 1 2 350.339 -1.587 20 0 FAADLO O=C(N1CCC(=O)NCC[N@H+](CCOCCO)CC1)[C@]12C[C@H]1COC2 ZINC001131360424 790825852 /nfs/dbraw/zinc/82/58/52/790825852.db2.gz UHMMAPCVARERMZ-YOEHRIQHSA-N 1 2 355.435 -1.318 20 0 FAADLO O=C(N1CCC(=O)NCC[N@@H+](CCOCCO)CC1)[C@]12C[C@H]1COC2 ZINC001131360424 790825843 /nfs/dbraw/zinc/82/58/43/790825843.db2.gz UHMMAPCVARERMZ-YOEHRIQHSA-N 1 2 355.435 -1.318 20 0 FAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC(=O)NCC[N@H+](CCOCCO)CC1 ZINC001131383605 790826520 /nfs/dbraw/zinc/82/65/20/790826520.db2.gz QMNAVJFEBQZGCM-OLZOCXBDSA-N 1 2 356.423 -2.233 20 0 FAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC(=O)NCC[N@@H+](CCOCCO)CC1 ZINC001131383605 790826509 /nfs/dbraw/zinc/82/65/09/790826509.db2.gz QMNAVJFEBQZGCM-OLZOCXBDSA-N 1 2 356.423 -2.233 20 0 FAADLO Cn1nnc(CNCCNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)n1 ZINC001131610844 790828181 /nfs/dbraw/zinc/82/81/81/790828181.db2.gz KWWKIYIKLKSCLA-OLZOCXBDSA-N 1 2 353.427 -1.704 20 0 FAADLO Cn1nnnc1C[NH2+]CCNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001131611000 790828499 /nfs/dbraw/zinc/82/84/99/790828499.db2.gz QTHSNEARGQRSTN-OLZOCXBDSA-N 1 2 353.427 -1.704 20 0 FAADLO CNC(=O)Cc1noc(C[NH2+]CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)n1 ZINC001133781921 790834548 /nfs/dbraw/zinc/83/45/48/790834548.db2.gz WVUCJKAWDPYNCG-DTWKUNHWSA-N 1 2 354.367 -2.403 20 0 FAADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]Cc2nc(N(C)C)no2)O1 ZINC001133787591 790835111 /nfs/dbraw/zinc/83/51/11/790835111.db2.gz RRTDJESISQJFFA-MNOVXSKESA-N 1 2 354.411 -1.023 20 0 FAADLO CO[C@@]1(c2nnc(C[NH2+]CCNC(=O)[C@H]3C[C@H]3C(N)=O)o2)CCOC1 ZINC001133908130 790836878 /nfs/dbraw/zinc/83/68/78/790836878.db2.gz JAJJOFFKGLROOI-FTGAXOIBSA-N 1 2 353.379 -1.341 20 0 FAADLO CO[C@]1(c2nnc(C[NH2+]CCNC(=O)[C@H]3C[C@H]3C(N)=O)o2)CCOC1 ZINC001133908132 790837143 /nfs/dbraw/zinc/83/71/43/790837143.db2.gz JAJJOFFKGLROOI-HFBDOXOYSA-N 1 2 353.379 -1.341 20 0 FAADLO CNC(=O)Cc1noc(C[NH2+]CCNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)n1 ZINC001133928618 790837783 /nfs/dbraw/zinc/83/77/83/790837783.db2.gz BXYPIBDVMKSNIT-VHSXEESVSA-N 1 2 352.395 -1.712 20 0 FAADLO CNC(=O)Cc1noc(C[NH2+]CCNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)n1 ZINC001133940197 790837330 /nfs/dbraw/zinc/83/73/30/790837330.db2.gz TVWLBYUFJCSTFQ-ZJUUUORDSA-N 1 2 352.395 -1.535 20 0 FAADLO Cn1cnnc1COCC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001136668639 790855422 /nfs/dbraw/zinc/85/54/22/790855422.db2.gz XJVWMQCYHZNDKI-UHFFFAOYSA-N 1 2 359.452 -1.043 20 0 FAADLO CNS(=O)(=O)NCC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001136669212 790856104 /nfs/dbraw/zinc/85/61/04/790856104.db2.gz UWDVIXLLAOBWGW-UHFFFAOYSA-N 1 2 356.470 -2.335 20 0 FAADLO O=C(C[C@@H]1CC(=O)NC1=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001136947795 790858425 /nfs/dbraw/zinc/85/84/25/790858425.db2.gz MAKFPTNZRRNBRX-NEPJUHHUSA-N 1 2 352.391 -1.912 20 0 FAADLO O=C(C[C@H]1CC(=O)NC1=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001136947796 790858397 /nfs/dbraw/zinc/85/83/97/790858397.db2.gz MAKFPTNZRRNBRX-NWDGAFQWSA-N 1 2 352.391 -1.912 20 0 FAADLO O=C(C[C@H]1CC(=O)NC1=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001136947797 790858314 /nfs/dbraw/zinc/85/83/14/790858314.db2.gz MAKFPTNZRRNBRX-RYUDHWBXSA-N 1 2 352.391 -1.912 20 0 FAADLO O=C(C[C@@H]1CC(=O)NC1=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001136947798 790858080 /nfs/dbraw/zinc/85/80/80/790858080.db2.gz MAKFPTNZRRNBRX-VXGBXAGGSA-N 1 2 352.391 -1.912 20 0 FAADLO CC(C)[C@@H](NS(C)(=O)=O)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001136962750 790859153 /nfs/dbraw/zinc/85/91/53/790859153.db2.gz XNRZLKXHSLRYEB-CYBMUJFWSA-N 1 2 358.468 -1.004 20 0 FAADLO CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001136962751 790858932 /nfs/dbraw/zinc/85/89/32/790858932.db2.gz XNRZLKXHSLRYEB-ZDUSSCGKSA-N 1 2 358.468 -1.004 20 0 FAADLO O=C(NC[C@@H](O)CN1CCCC1=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001137457851 792581260 /nfs/dbraw/zinc/58/12/60/792581260.db2.gz RRFRVIIVDLRIQC-KFWWJZLASA-N 1 2 355.435 -1.034 20 0 FAADLO O=C(NC[C@H](O)CN1CCCC1=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001137457852 792581455 /nfs/dbraw/zinc/58/14/55/792581455.db2.gz RRFRVIIVDLRIQC-ZNMIVQPWSA-N 1 2 355.435 -1.034 20 0 FAADLO C[C@@H]1CN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001137551269 792833500 /nfs/dbraw/zinc/83/35/00/792833500.db2.gz DAKKXFNEGPILRF-HZSPNIEDSA-N 1 2 372.491 -1.616 20 0 FAADLO C[C@H]1CN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001137551270 792833579 /nfs/dbraw/zinc/83/35/79/792833579.db2.gz DAKKXFNEGPILRF-IHRRRGAJSA-N 1 2 372.491 -1.616 20 0 FAADLO C[C@H]1CN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001137551271 790795336 /nfs/dbraw/zinc/79/53/36/790795336.db2.gz DAKKXFNEGPILRF-MELADBBJSA-N 1 2 372.491 -1.616 20 0 FAADLO C[C@@H]1CN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001137551272 790795403 /nfs/dbraw/zinc/79/54/03/790795403.db2.gz DAKKXFNEGPILRF-RDBSUJKOSA-N 1 2 372.491 -1.616 20 0 FAADLO COC(=O)CC[N@H+]1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)C[C@H]1C ZINC001137887160 792834149 /nfs/dbraw/zinc/83/41/49/792834149.db2.gz XWAJNVSTCDBWDY-SECBINFHSA-N 1 2 359.408 -1.234 20 0 FAADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)C[C@H]1C ZINC001137887160 792834139 /nfs/dbraw/zinc/83/41/39/792834139.db2.gz XWAJNVSTCDBWDY-SECBINFHSA-N 1 2 359.408 -1.234 20 0 FAADLO COC(=O)CC[N@H+]1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)C[C@@H]1C ZINC001137887161 792834504 /nfs/dbraw/zinc/83/45/04/792834504.db2.gz XWAJNVSTCDBWDY-VIFPVBQESA-N 1 2 359.408 -1.234 20 0 FAADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)C[C@@H]1C ZINC001137887161 792834496 /nfs/dbraw/zinc/83/44/96/792834496.db2.gz XWAJNVSTCDBWDY-VIFPVBQESA-N 1 2 359.408 -1.234 20 0 FAADLO NS(=O)(=O)CCOCCNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC001140237144 792837814 /nfs/dbraw/zinc/83/78/14/792837814.db2.gz RSLJLSOJSKQWCR-UHFFFAOYSA-N 1 2 374.463 -1.145 20 0 FAADLO CC(=O)N[C@@H](CC(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1)C(N)=O ZINC001140346770 792838743 /nfs/dbraw/zinc/83/87/43/792838743.db2.gz YGHOQRDGRSYBHG-AAEUAGOBSA-N 1 2 351.407 -1.463 20 0 FAADLO CC(=O)N[C@@H](CC(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1)C(N)=O ZINC001140346771 792839211 /nfs/dbraw/zinc/83/92/11/792839211.db2.gz YGHOQRDGRSYBHG-YPMHNXCESA-N 1 2 351.407 -1.463 20 0 FAADLO C[C@]1(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCC(=O)N1 ZINC001141881366 792842681 /nfs/dbraw/zinc/84/26/81/792842681.db2.gz HNQDWGWVDMHSBV-CXAGYDPISA-N 1 2 352.435 -1.048 20 0 FAADLO C[C@@]1(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCC(=O)N1 ZINC001141881367 792842850 /nfs/dbraw/zinc/84/28/50/792842850.db2.gz HNQDWGWVDMHSBV-DYVFJYSZSA-N 1 2 352.435 -1.048 20 0 FAADLO C[C@@]1(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCC(=O)N1 ZINC001141881368 792842907 /nfs/dbraw/zinc/84/29/07/792842907.db2.gz HNQDWGWVDMHSBV-GUYCJALGSA-N 1 2 352.435 -1.048 20 0 FAADLO C[C@]1(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCC(=O)N1 ZINC001141881369 792842534 /nfs/dbraw/zinc/84/25/34/792842534.db2.gz HNQDWGWVDMHSBV-SUMWQHHRSA-N 1 2 352.435 -1.048 20 0 FAADLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC001142103186 792844344 /nfs/dbraw/zinc/84/43/44/792844344.db2.gz BWZSIEOHTHRFHY-LLVKDONJSA-N 1 2 370.431 -1.203 20 0 FAADLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC001142103186 792844336 /nfs/dbraw/zinc/84/43/36/792844336.db2.gz BWZSIEOHTHRFHY-LLVKDONJSA-N 1 2 370.431 -1.203 20 0 FAADLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC001142103187 792844466 /nfs/dbraw/zinc/84/44/66/792844466.db2.gz BWZSIEOHTHRFHY-NSHDSACASA-N 1 2 370.431 -1.203 20 0 FAADLO C[C@H]1C[N@H+](CCO)CCN1C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC001142103187 792844458 /nfs/dbraw/zinc/84/44/58/792844458.db2.gz BWZSIEOHTHRFHY-NSHDSACASA-N 1 2 370.431 -1.203 20 0 FAADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)Cn1cnnn1 ZINC001142136206 792845460 /nfs/dbraw/zinc/84/54/60/792845460.db2.gz XHACOVNVHSOENE-DOMZBBRYSA-N 1 2 352.395 -1.072 20 0 FAADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)Cn1cnnn1 ZINC001142136207 792845237 /nfs/dbraw/zinc/84/52/37/792845237.db2.gz XHACOVNVHSOENE-IUODEOHRSA-N 1 2 352.395 -1.072 20 0 FAADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)Cn1cnnn1 ZINC001142136208 792845443 /nfs/dbraw/zinc/84/54/43/792845443.db2.gz XHACOVNVHSOENE-SWLSCSKDSA-N 1 2 352.395 -1.072 20 0 FAADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)Cn1cnnn1 ZINC001142136209 792845150 /nfs/dbraw/zinc/84/51/50/792845150.db2.gz XHACOVNVHSOENE-WFASDCNBSA-N 1 2 352.395 -1.072 20 0 FAADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)C(N)=O)C2 ZINC001142931245 792849078 /nfs/dbraw/zinc/84/90/78/792849078.db2.gz MMIOMYFPMGNUEB-GFCCVEGCSA-N 1 2 351.407 -1.320 20 0 FAADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)C(N)=O)C2 ZINC001142931253 792848940 /nfs/dbraw/zinc/84/89/40/792848940.db2.gz MMIOMYFPMGNUEB-LBPRGKRZSA-N 1 2 351.407 -1.320 20 0 FAADLO NC(=O)CCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001142961837 792849179 /nfs/dbraw/zinc/84/91/79/792849179.db2.gz WPXPODFRPZGNRX-QWRGUYRKSA-N 1 2 350.379 -1.821 20 0 FAADLO NC(=O)CCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001142961837 792849171 /nfs/dbraw/zinc/84/91/71/792849171.db2.gz WPXPODFRPZGNRX-QWRGUYRKSA-N 1 2 350.379 -1.821 20 0 FAADLO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC1 ZINC001142970198 792849371 /nfs/dbraw/zinc/84/93/71/792849371.db2.gz NLFJJFJUSALMDD-NWDGAFQWSA-N 1 2 372.447 -2.160 20 0 FAADLO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC1 ZINC001142970198 792849361 /nfs/dbraw/zinc/84/93/61/792849361.db2.gz NLFJJFJUSALMDD-NWDGAFQWSA-N 1 2 372.447 -2.160 20 0 FAADLO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC1 ZINC001142970199 792849037 /nfs/dbraw/zinc/84/90/37/792849037.db2.gz NLFJJFJUSALMDD-RYUDHWBXSA-N 1 2 372.447 -2.160 20 0 FAADLO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC1 ZINC001142970199 792849026 /nfs/dbraw/zinc/84/90/26/792849026.db2.gz NLFJJFJUSALMDD-RYUDHWBXSA-N 1 2 372.447 -2.160 20 0 FAADLO COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@@H]1C[C@@H](O)CN1C(C)=O ZINC001143039333 792850060 /nfs/dbraw/zinc/85/00/60/792850060.db2.gz BPNKBKGFTOWWAB-RDBSUJKOSA-N 1 2 352.391 -1.008 20 0 FAADLO CN(C)C(=O)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001143284035 792851140 /nfs/dbraw/zinc/85/11/40/792851140.db2.gz YILMBIXVUKVJBM-QWRGUYRKSA-N 1 2 350.379 -1.999 20 0 FAADLO CN(C)C(=O)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001143284035 792851133 /nfs/dbraw/zinc/85/11/33/792851133.db2.gz YILMBIXVUKVJBM-QWRGUYRKSA-N 1 2 350.379 -1.999 20 0 FAADLO CCOC(=O)C[C@@H](O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001144408705 790868762 /nfs/dbraw/zinc/86/87/62/790868762.db2.gz JTSLAXGVQZMGSO-GFCCVEGCSA-N 1 2 350.437 -1.074 20 0 FAADLO CCOC(=O)C[C@H](O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001144408706 790867928 /nfs/dbraw/zinc/86/79/28/790867928.db2.gz JTSLAXGVQZMGSO-LBPRGKRZSA-N 1 2 350.437 -1.074 20 0 FAADLO CCS(=O)(=O)NCC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001144408707 790868617 /nfs/dbraw/zinc/86/86/17/790868617.db2.gz JYSVFIHAJYNKNP-UHFFFAOYSA-N 1 2 355.482 -1.449 20 0 FAADLO C[C@@H](O)c1cn(CC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)nn1 ZINC001144409890 790869765 /nfs/dbraw/zinc/86/97/65/790869765.db2.gz WKCXBWKKDNDEOJ-LLVKDONJSA-N 1 2 359.452 -1.043 20 0 FAADLO C[C@H](O)c1cn(CC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)nn1 ZINC001144409891 790869159 /nfs/dbraw/zinc/86/91/59/790869159.db2.gz WKCXBWKKDNDEOJ-NSHDSACASA-N 1 2 359.452 -1.043 20 0 FAADLO CCS(=O)(=O)N(C)CC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001144409960 790869370 /nfs/dbraw/zinc/86/93/70/790869370.db2.gz YOFXOLQOMOJYMU-UHFFFAOYSA-N 1 2 369.509 -1.107 20 0 FAADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2nccnc2C(N)=O)CC1 ZINC001144409982 790869536 /nfs/dbraw/zinc/86/95/36/790869536.db2.gz ZDIUJBGSORFCKS-UHFFFAOYSA-N 1 2 355.420 -1.186 20 0 FAADLO C[C@H]1COCC[N@H+]1CCNC(=O)CCn1cc(C(N)=O)c(=O)[nH]c1=O ZINC001144612223 790877675 /nfs/dbraw/zinc/87/76/75/790877675.db2.gz BEFAXCDIIHBODQ-JTQLQIEISA-N 1 2 353.379 -1.725 20 0 FAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)CCn1cc(C(N)=O)c(=O)[nH]c1=O ZINC001144612223 790877666 /nfs/dbraw/zinc/87/76/66/790877666.db2.gz BEFAXCDIIHBODQ-JTQLQIEISA-N 1 2 353.379 -1.725 20 0 FAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)CCn1cc(C(N)=O)c(=O)[nH]c1=O ZINC001144612224 790878918 /nfs/dbraw/zinc/87/89/18/790878918.db2.gz BEFAXCDIIHBODQ-SNVBAGLBSA-N 1 2 353.379 -1.725 20 0 FAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CCn1cc(C(N)=O)c(=O)[nH]c1=O ZINC001144612224 790878907 /nfs/dbraw/zinc/87/89/07/790878907.db2.gz BEFAXCDIIHBODQ-SNVBAGLBSA-N 1 2 353.379 -1.725 20 0 FAADLO O=C(N[C@H]1CC[N@@H+](Cc2cccnc2)C1)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144902618 790893563 /nfs/dbraw/zinc/89/35/63/790893563.db2.gz GJJPDHKUIKAZHD-IGQOVBAYSA-N 1 2 353.375 -2.584 20 0 FAADLO O=C(N[C@H]1CC[N@H+](Cc2cccnc2)C1)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144902618 790893557 /nfs/dbraw/zinc/89/35/57/790893557.db2.gz GJJPDHKUIKAZHD-IGQOVBAYSA-N 1 2 353.375 -2.584 20 0 FAADLO O=C(N[C@H]1CC[N@@H+](Cc2cccnc2)C1)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144902619 790893604 /nfs/dbraw/zinc/89/36/04/790893604.db2.gz GJJPDHKUIKAZHD-REWJHTLYSA-N 1 2 353.375 -2.584 20 0 FAADLO O=C(N[C@H]1CC[N@H+](Cc2cccnc2)C1)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144902619 790893590 /nfs/dbraw/zinc/89/35/90/790893590.db2.gz GJJPDHKUIKAZHD-REWJHTLYSA-N 1 2 353.375 -2.584 20 0 FAADLO O=C(N[C@H]1CC[N@@H+](Cc2cccnc2)C1)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144902620 790893311 /nfs/dbraw/zinc/89/33/11/790893311.db2.gz GJJPDHKUIKAZHD-RFQIPJPRSA-N 1 2 353.375 -2.584 20 0 FAADLO O=C(N[C@H]1CC[N@H+](Cc2cccnc2)C1)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144902620 790893298 /nfs/dbraw/zinc/89/32/98/790893298.db2.gz GJJPDHKUIKAZHD-RFQIPJPRSA-N 1 2 353.375 -2.584 20 0 FAADLO O=C(N[C@H]1CC[N@@H+](Cc2cccnc2)C1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144902621 790893358 /nfs/dbraw/zinc/89/33/58/790893358.db2.gz GJJPDHKUIKAZHD-XDQVBPFNSA-N 1 2 353.375 -2.584 20 0 FAADLO O=C(N[C@H]1CC[N@H+](Cc2cccnc2)C1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144902621 790893345 /nfs/dbraw/zinc/89/33/45/790893345.db2.gz GJJPDHKUIKAZHD-XDQVBPFNSA-N 1 2 353.375 -2.584 20 0 FAADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144907800 790898547 /nfs/dbraw/zinc/89/85/47/790898547.db2.gz ZORVHNLOCDXYCZ-LNFKQOIKSA-N 1 2 359.335 -3.736 20 0 FAADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144907801 790898021 /nfs/dbraw/zinc/89/80/21/790898021.db2.gz ZORVHNLOCDXYCZ-UKKRHICBSA-N 1 2 359.335 -3.736 20 0 FAADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144907802 790898395 /nfs/dbraw/zinc/89/83/95/790898395.db2.gz ZORVHNLOCDXYCZ-XWLWVQCSSA-N 1 2 359.335 -3.736 20 0 FAADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144907803 790898581 /nfs/dbraw/zinc/89/85/81/790898581.db2.gz ZORVHNLOCDXYCZ-ZRUFSTJUSA-N 1 2 359.335 -3.736 20 0 FAADLO CC1(C)[C@H](C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)N2C(=O)C[C@H]2S1(=O)=O ZINC001146265791 790904013 /nfs/dbraw/zinc/90/40/13/790904013.db2.gz VQCXYTXJIAHXBH-NMUGVGKYSA-N 1 2 358.424 -3.361 20 0 FAADLO CC1(C)[C@H](C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)N2C(=O)C[C@H]2S1(=O)=O ZINC001146265793 790904536 /nfs/dbraw/zinc/90/45/36/790904536.db2.gz VQCXYTXJIAHXBH-ORMBPQIASA-N 1 2 358.424 -3.361 20 0 FAADLO CC1(C)[C@H](C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)N2C(=O)C[C@H]2S1(=O)=O ZINC001146265794 790904161 /nfs/dbraw/zinc/90/41/61/790904161.db2.gz VQCXYTXJIAHXBH-SAVGLBRCSA-N 1 2 358.424 -3.361 20 0 FAADLO CC1(C)[C@H](C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)N2C(=O)C[C@H]2S1(=O)=O ZINC001146265795 790904325 /nfs/dbraw/zinc/90/43/25/790904325.db2.gz VQCXYTXJIAHXBH-UVOCVTCTSA-N 1 2 358.424 -3.361 20 0 FAADLO CC1(C)[C@H](C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)N2C(=O)C[C@H]2S1(=O)=O ZINC001146267464 790905044 /nfs/dbraw/zinc/90/50/44/790905044.db2.gz VKZZMSZOTHJMCB-JLLWLGSASA-N 1 2 356.404 -1.437 20 0 FAADLO CC1(C)[C@H](C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)N2C(=O)C[C@H]2S1(=O)=O ZINC001146267464 790905038 /nfs/dbraw/zinc/90/50/38/790905038.db2.gz VKZZMSZOTHJMCB-JLLWLGSASA-N 1 2 356.404 -1.437 20 0 FAADLO COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001146633163 790907713 /nfs/dbraw/zinc/90/77/13/790907713.db2.gz WYXPVXTXNLECAY-REWJHTLYSA-N 1 2 353.375 -1.577 20 0 FAADLO O=C(CC1CS(=O)(=O)C1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001147764769 790909669 /nfs/dbraw/zinc/90/96/69/790909669.db2.gz OUVKXYOIPFPTGX-CYBMUJFWSA-N 1 2 359.448 -1.530 20 0 FAADLO O=C(CC1CS(=O)(=O)C1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001147764770 790909596 /nfs/dbraw/zinc/90/95/96/790909596.db2.gz OUVKXYOIPFPTGX-ZDUSSCGKSA-N 1 2 359.448 -1.530 20 0 FAADLO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CCN(CC(=O)NC(N)=O)C3)O1 ZINC001147773173 790909491 /nfs/dbraw/zinc/90/94/91/790909491.db2.gz FRYNTCIKTPOULF-VXGBXAGGSA-N 1 2 353.423 -1.565 20 0 FAADLO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CCN(CC(=O)NC(N)=O)C3)O1 ZINC001147773173 790909483 /nfs/dbraw/zinc/90/94/83/790909483.db2.gz FRYNTCIKTPOULF-VXGBXAGGSA-N 1 2 353.423 -1.565 20 0 FAADLO O=C(CN1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001147774961 790909605 /nfs/dbraw/zinc/90/96/05/790909605.db2.gz DNDBRNTWQFHFNO-GFCCVEGCSA-N 1 2 369.447 -1.600 20 0 FAADLO O=C(CN1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1)N[C@H]1CCS(=O)(=O)C1 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ZINC001159520693 792894327 /nfs/dbraw/zinc/89/43/27/792894327.db2.gz ZEIYQAMRCBKYSJ-NSHDSACASA-N 1 2 352.395 -1.121 20 0 FAADLO COCCN1CCO[C@H]2CN(C(=O)C[C@H]([NH3+])C(=O)OC)CC[C@H]2C1=O ZINC001159917637 792895522 /nfs/dbraw/zinc/89/55/22/792895522.db2.gz JFYGJMBUOACGGZ-AGIUHOORSA-N 1 2 357.407 -1.401 20 0 FAADLO CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)[C@@H]([NH3+])Cc3nn[nH]n3)C[C@H]2C1 ZINC001160007922 792897142 /nfs/dbraw/zinc/89/71/42/792897142.db2.gz QCWKLPFOBBENLK-VWYCJHECSA-N 1 2 372.455 -2.344 20 0 FAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC001160658106 792904577 /nfs/dbraw/zinc/90/45/77/792904577.db2.gz ZGXXNHAEMHRPIA-GBOPCIDUSA-N 1 2 368.459 -1.174 20 0 FAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC001160658107 792904250 /nfs/dbraw/zinc/90/42/50/792904250.db2.gz ZGXXNHAEMHRPIA-QHSBEEBCSA-N 1 2 368.459 -1.174 20 0 FAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC001160658108 792904136 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CS(=O)(=O)C1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC001161843174 792915294 /nfs/dbraw/zinc/91/52/94/792915294.db2.gz CZZNXUSFMVDGOO-LBPRGKRZSA-N 1 2 359.448 -1.578 20 0 FAADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@H](O)[C@H](CO)C1 ZINC001162034704 792916843 /nfs/dbraw/zinc/91/68/43/792916843.db2.gz FLIPRJUXBOFMRY-KKUMJFAQSA-N 1 2 355.435 -1.631 20 0 FAADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001162034708 792916723 /nfs/dbraw/zinc/91/67/23/792916723.db2.gz FLIPRJUXBOFMRY-RRFJBIMHSA-N 1 2 355.435 -1.631 20 0 FAADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@@H](O)[C@H](CO)C1 ZINC001162034709 792917178 /nfs/dbraw/zinc/91/71/78/792917178.db2.gz FLIPRJUXBOFMRY-SOUVJXGZSA-N 1 2 355.435 -1.631 20 0 FAADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@H](O)[C@@H](CO)C1 ZINC001162034710 792916876 /nfs/dbraw/zinc/91/68/76/792916876.db2.gz FLIPRJUXBOFMRY-ZNMIVQPWSA-N 1 2 355.435 -1.631 20 0 FAADLO 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CCOC(=O)c1cnc([S@](C)=O)nc1N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001162450278 792920364 /nfs/dbraw/zinc/92/03/64/792920364.db2.gz ZMUIPZSXQMTUQM-ITEJGZQASA-N 1 2 355.424 -2.112 20 0 FAADLO CCOC(=O)c1cnc([S@](C)=O)nc1N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001162450279 792920770 /nfs/dbraw/zinc/92/07/70/792920770.db2.gz ZMUIPZSXQMTUQM-MJXGZYLESA-N 1 2 355.424 -2.112 20 0 FAADLO CCOC(=O)c1cnc([S@](C)=O)nc1N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001162450280 792920380 /nfs/dbraw/zinc/92/03/80/792920380.db2.gz ZMUIPZSXQMTUQM-ZVRYGJFVSA-N 1 2 355.424 -2.112 20 0 FAADLO COC(=O)c1cc(N[C@@H]2C[NH2+][C@H](C(=O)OC)C2)nc(S(C)(=O)=O)n1 ZINC001164301499 792922911 /nfs/dbraw/zinc/92/29/11/792922911.db2.gz BPNDKVKHUHUQKN-YUMQZZPRSA-N 1 2 358.376 -1.018 20 0 FAADLO COC(=O)CNS(=O)(=O)c1ccc(N[C@@H]2C[NH2+][C@H](C(=O)OC)C2)nc1 ZINC001164306905 792922890 /nfs/dbraw/zinc/92/28/90/792922890.db2.gz PWOPOEXYPOTMBA-ONGXEEELSA-N 1 2 372.403 -1.152 20 0 FAADLO CN(C[C@@H](O)CO)c1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC001165529245 792924175 /nfs/dbraw/zinc/92/41/75/792924175.db2.gz OQLPCYVGGWNIPK-GFCCVEGCSA-N 1 2 354.411 -1.666 20 0 FAADLO CN(C[C@@H](O)CO)c1nc(N2CCOCC2)nc(N2CCOCC2)[nH+]1 ZINC001165529245 792924164 /nfs/dbraw/zinc/92/41/64/792924164.db2.gz OQLPCYVGGWNIPK-GFCCVEGCSA-N 1 2 354.411 -1.666 20 0 FAADLO CN(C[C@H](O)CO)c1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC001165529253 792923938 /nfs/dbraw/zinc/92/39/38/792923938.db2.gz OQLPCYVGGWNIPK-LBPRGKRZSA-N 1 2 354.411 -1.666 20 0 FAADLO CN(C[C@H](O)CO)c1nc(N2CCOCC2)nc(N2CCOCC2)[nH+]1 ZINC001165529253 792923932 /nfs/dbraw/zinc/92/39/32/792923932.db2.gz OQLPCYVGGWNIPK-LBPRGKRZSA-N 1 2 354.411 -1.666 20 0 FAADLO COCCc1nc(C[NH2+]CCCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)no1 ZINC001166570092 792926101 /nfs/dbraw/zinc/92/61/01/792926101.db2.gz POPPBKICMREHBS-WDEREUQCSA-N 1 2 355.395 -1.113 20 0 FAADLO CS(=O)(=O)c1nnc(C[NH2+]CCCNC(=O)[C@H]2C[C@H]2C(N)=O)s1 ZINC001166789381 792927082 /nfs/dbraw/zinc/92/70/82/792927082.db2.gz PXGHHCLKZKVNBB-SFYZADRCSA-N 1 2 361.449 -1.341 20 0 FAADLO Cn1nnc(C[NH2+]CC2(CCNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CC2)n1 ZINC001167207709 789652046 /nfs/dbraw/zinc/65/20/46/789652046.db2.gz UUAKMPMTTJPWNV-WDEREUQCSA-N 1 2 351.411 -1.381 20 0 FAADLO CCS(=O)(=O)N(C)CC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001167216543 789652093 /nfs/dbraw/zinc/65/20/93/789652093.db2.gz YKVPEWCQRXFDGF-HNNXBMFYSA-N 1 2 363.480 -1.000 20 0 FAADLO CCS(=O)(=O)N(C)CC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001167216543 789652083 /nfs/dbraw/zinc/65/20/83/789652083.db2.gz YKVPEWCQRXFDGF-HNNXBMFYSA-N 1 2 363.480 -1.000 20 0 FAADLO CCS(=O)(=O)N(C)CC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001167216544 789652161 /nfs/dbraw/zinc/65/21/61/789652161.db2.gz YKVPEWCQRXFDGF-OAHLLOKOSA-N 1 2 363.480 -1.000 20 0 FAADLO CCS(=O)(=O)N(C)CC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001167216544 789652155 /nfs/dbraw/zinc/65/21/55/789652155.db2.gz YKVPEWCQRXFDGF-OAHLLOKOSA-N 1 2 363.480 -1.000 20 0 FAADLO CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCCN(C(N)=O)CC2)CC1 ZINC001167279597 789651581 /nfs/dbraw/zinc/65/15/81/789651581.db2.gz OBYRMZGWQNSDIM-UHFFFAOYSA-N 1 2 361.468 -1.387 20 0 FAADLO CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCCN(C(N)=O)CC2)CC1 ZINC001167279597 789651573 /nfs/dbraw/zinc/65/15/73/789651573.db2.gz OBYRMZGWQNSDIM-UHFFFAOYSA-N 1 2 361.468 -1.387 20 0 FAADLO CC(=O)N1CCC(NC(=O)CN(C)C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC001167630886 789659219 /nfs/dbraw/zinc/65/92/19/789659219.db2.gz RJEZWSMYPGCEAY-INIZCTEOSA-N 1 2 356.467 -1.262 20 0 FAADLO CC(=O)N1CCC(NC(=O)CN(C)C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC001167630887 789658831 /nfs/dbraw/zinc/65/88/31/789658831.db2.gz RJEZWSMYPGCEAY-MRXNPFEDSA-N 1 2 356.467 -1.262 20 0 FAADLO NC(=O)C1CCN(c2cc(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)nc[nH+]2)CC1 ZINC001168042507 790349178 /nfs/dbraw/zinc/34/91/78/790349178.db2.gz RGUTXBHZXDGBOZ-FKGLVLAHSA-N 1 2 351.407 -1.307 20 0 FAADLO NC(=O)C1CCN(c2cc(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)[nH+]cn2)CC1 ZINC001168042507 790349167 /nfs/dbraw/zinc/34/91/67/790349167.db2.gz RGUTXBHZXDGBOZ-FKGLVLAHSA-N 1 2 351.407 -1.307 20 0 FAADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1cnn2c1S(=O)(=O)N(C)CC2 ZINC001168348633 790403420 /nfs/dbraw/zinc/40/34/20/790403420.db2.gz GNULTUDDDAFEKA-JTQLQIEISA-N 1 2 354.392 -1.286 20 0 FAADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1cnn2c1S(=O)(=O)N(C)CC2 ZINC001168348676 790403009 /nfs/dbraw/zinc/40/30/09/790403009.db2.gz GNULTUDDDAFEKA-SNVBAGLBSA-N 1 2 354.392 -1.286 20 0 FAADLO CS(=O)(=O)N1CCN(c2cccc(-n3[nH]c(=O)nc3C[NH3+])n2)CC1 ZINC001168755419 790562391 /nfs/dbraw/zinc/56/23/91/790562391.db2.gz BAYMVFICERBSMU-UHFFFAOYSA-N 1 2 353.408 -1.092 20 0 FAADLO CN1CCN(S(=O)(=O)c2cccnc2-n2[nH]c(=O)nc2C[NH3+])CC1 ZINC001168760793 790572385 /nfs/dbraw/zinc/57/23/85/790572385.db2.gz ULZWAFSVKSYGSR-UHFFFAOYSA-N 1 2 353.408 -1.237 20 0 FAADLO COC(=O)c1cc(N[C@H]2C[NH2+][C@H](C(=O)OC)C2)nc(S(C)(=O)=O)n1 ZINC001169128499 790673176 /nfs/dbraw/zinc/67/31/76/790673176.db2.gz BPNDKVKHUHUQKN-SFYZADRCSA-N 1 2 358.376 -1.018 20 0 FAADLO COC(=O)CNS(=O)(=O)c1ccc(N[C@H]2C[NH2+][C@H](C(=O)OC)C2)nc1 ZINC001169130530 790672793 /nfs/dbraw/zinc/67/27/93/790672793.db2.gz PWOPOEXYPOTMBA-KOLCDFICSA-N 1 2 372.403 -1.152 20 0 FAADLO COC(=O)c1cnc(N[C@H]2C[NH2+][C@H](C(=O)OC)C2)c(S(N)(=O)=O)c1 ZINC001169131104 790673129 /nfs/dbraw/zinc/67/31/29/790673129.db2.gz VAGQLLBDEBIQGI-BDAKNGLRSA-N 1 2 358.376 -1.169 20 0 FAADLO Cc1[nH+]cn(-c2ccc(N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)nn2)c1C ZINC001169969798 790705981 /nfs/dbraw/zinc/70/59/81/790705981.db2.gz AUXPEMYLNKCQFB-WMESBKTJSA-N 1 2 351.363 -1.509 20 0 FAADLO Cc1[nH+]cn(-c2ccc(N[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3O)nn2)c1C ZINC001169969799 790708061 /nfs/dbraw/zinc/70/80/61/790708061.db2.gz AUXPEMYLNKCQFB-YGARTUKASA-N 1 2 351.363 -1.509 20 0 FAADLO CCOC(=O)CCc1ccc[nH+]c1N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001169970741 790709201 /nfs/dbraw/zinc/70/92/01/790709201.db2.gz HRMVTGVVMNTIRG-GGXZVJIVSA-N 1 2 356.375 -1.211 20 0 FAADLO CCOC(=O)CCc1ccc[nH+]c1N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001169970743 790709235 /nfs/dbraw/zinc/70/92/35/790709235.db2.gz HRMVTGVVMNTIRG-VPOMQUIYSA-N 1 2 356.375 -1.211 20 0 FAADLO CN(C)c1nc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)[nH+]c2ccccc21 ZINC001169972087 790708980 /nfs/dbraw/zinc/70/89/80/790708980.db2.gz QVEDANPOBACJOB-FTQJZPFOSA-N 1 2 350.375 -1.092 20 0 FAADLO CN(C)c1nc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)[nH+]c2ccccc21 ZINC001169972088 790709379 /nfs/dbraw/zinc/70/93/79/790709379.db2.gz QVEDANPOBACJOB-HVNMYJMUSA-N 1 2 350.375 -1.092 20 0 FAADLO Cc1cc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)c[nH+]c1N1CCOCC1 ZINC001169976313 790711716 /nfs/dbraw/zinc/71/17/16/790711716.db2.gz NIALDMLJXZKTCL-PAURTPPISA-N 1 2 355.391 -1.562 20 0 FAADLO Cc1cc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c[nH+]c1N1CCOCC1 ZINC001169976314 790711487 /nfs/dbraw/zinc/71/14/87/790711487.db2.gz NIALDMLJXZKTCL-UTGUJQJDSA-N 1 2 355.391 -1.562 20 0 FAADLO 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ZINC001188831938 791968984 /nfs/dbraw/zinc/96/89/84/791968984.db2.gz DLQDFPIUQVBVJD-VHSXEESVSA-N 1 2 350.383 -1.798 20 0 FAADLO COCCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001188832284 791969068 /nfs/dbraw/zinc/96/90/68/791969068.db2.gz MTSWMPDDSMBMLQ-NWDGAFQWSA-N 1 2 351.411 -1.491 20 0 FAADLO COCCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001188832284 791969057 /nfs/dbraw/zinc/96/90/57/791969057.db2.gz MTSWMPDDSMBMLQ-NWDGAFQWSA-N 1 2 351.411 -1.491 20 0 FAADLO CCOCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001188832554 791968420 /nfs/dbraw/zinc/96/84/20/791968420.db2.gz SQGAMOJBNTUOHF-NWDGAFQWSA-N 1 2 351.411 -1.491 20 0 FAADLO CCOCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001188832554 791968416 /nfs/dbraw/zinc/96/84/16/791968416.db2.gz SQGAMOJBNTUOHF-NWDGAFQWSA-N 1 2 351.411 -1.491 20 0 FAADLO NC(=O)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC(=O)NC3CCCC3)C[C@H]21 ZINC001188985953 791970237 /nfs/dbraw/zinc/97/02/37/791970237.db2.gz YEBUMCCZUGKVOO-CMPLNLGQSA-N 1 2 351.407 -1.227 20 0 FAADLO NC(=O)C(=O)N1CC[C@H]2C[N@H+](CC(=O)NC(=O)NC3CCCC3)C[C@H]21 ZINC001188985953 791970234 /nfs/dbraw/zinc/97/02/34/791970234.db2.gz YEBUMCCZUGKVOO-CMPLNLGQSA-N 1 2 351.407 -1.227 20 0 FAADLO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001188991551 791970277 /nfs/dbraw/zinc/97/02/77/791970277.db2.gz GQOZWQQOQLGUJE-GARJFASQSA-N 1 2 355.395 -2.135 20 0 FAADLO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001188991551 791970273 /nfs/dbraw/zinc/97/02/73/791970273.db2.gz GQOZWQQOQLGUJE-GARJFASQSA-N 1 2 355.395 -2.135 20 0 FAADLO COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001188991559 791970160 /nfs/dbraw/zinc/97/01/60/791970160.db2.gz GQOZWQQOQLGUJE-OUAUKWLOSA-N 1 2 355.395 -2.135 20 0 FAADLO COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001188991559 791970156 /nfs/dbraw/zinc/97/01/56/791970156.db2.gz GQOZWQQOQLGUJE-OUAUKWLOSA-N 1 2 355.395 -2.135 20 0 FAADLO CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001188991651 791969823 /nfs/dbraw/zinc/96/98/23/791969823.db2.gz JQPJMFRZWDACSV-GRYCIOLGSA-N 1 2 353.423 -1.125 20 0 FAADLO CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001188991651 791969817 /nfs/dbraw/zinc/96/98/17/791969817.db2.gz JQPJMFRZWDACSV-GRYCIOLGSA-N 1 2 353.423 -1.125 20 0 FAADLO CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001188991654 791969662 /nfs/dbraw/zinc/96/96/62/791969662.db2.gz JQPJMFRZWDACSV-SDDRHHMPSA-N 1 2 353.423 -1.125 20 0 FAADLO CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001188991654 791969656 /nfs/dbraw/zinc/96/96/56/791969656.db2.gz JQPJMFRZWDACSV-SDDRHHMPSA-N 1 2 353.423 -1.125 20 0 FAADLO CCCNC(=O)CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001188991894 791969544 /nfs/dbraw/zinc/96/95/44/791969544.db2.gz KUZZPXXMTYDCLN-NWDGAFQWSA-N 1 2 353.423 -2.011 20 0 FAADLO CCCNC(=O)CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001188991894 791969539 /nfs/dbraw/zinc/96/95/39/791969539.db2.gz KUZZPXXMTYDCLN-NWDGAFQWSA-N 1 2 353.423 -2.011 20 0 FAADLO Cn1cc(S(=O)(=O)NCC[N@H+]2C[C@@H]3CCN(C(=O)C(N)=O)[C@@H]3C2)cn1 ZINC001188991936 791969916 /nfs/dbraw/zinc/96/99/16/791969916.db2.gz MEVYDRYIJIAIJC-CMPLNLGQSA-N 1 2 370.435 -2.284 20 0 FAADLO Cn1cc(S(=O)(=O)NCC[N@@H+]2C[C@@H]3CCN(C(=O)C(N)=O)[C@@H]3C2)cn1 ZINC001188991936 791969907 /nfs/dbraw/zinc/96/99/07/791969907.db2.gz MEVYDRYIJIAIJC-CMPLNLGQSA-N 1 2 370.435 -2.284 20 0 FAADLO NC(=O)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C[C@H]21 ZINC001188991942 791970020 /nfs/dbraw/zinc/97/00/20/791970020.db2.gz MQTGTJYACNIZBY-JGVFFNPUSA-N 1 2 365.312 -1.608 20 0 FAADLO NC(=O)C(=O)N1CC[C@H]2C[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C[C@H]21 ZINC001188991942 791970014 /nfs/dbraw/zinc/97/00/14/791970014.db2.gz MQTGTJYACNIZBY-JGVFFNPUSA-N 1 2 365.312 -1.608 20 0 FAADLO NC(=O)C(=O)N1CC[C@H]2C[N@@H+](CCNS(=O)(=O)c3ccccc3)C[C@H]21 ZINC001188992121 791970109 /nfs/dbraw/zinc/97/01/09/791970109.db2.gz QNVHVHLDHAGXNM-GXTWGEPZSA-N 1 2 366.443 -1.017 20 0 FAADLO NC(=O)C(=O)N1CC[C@H]2C[N@H+](CCNS(=O)(=O)c3ccccc3)C[C@H]21 ZINC001188992121 791970102 /nfs/dbraw/zinc/97/01/02/791970102.db2.gz QNVHVHLDHAGXNM-GXTWGEPZSA-N 1 2 366.443 -1.017 20 0 FAADLO COCCCS(=O)(=O)NCC[N@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001188992623 791970250 /nfs/dbraw/zinc/97/02/50/791970250.db2.gz YEMSRXREOYAKOZ-NWDGAFQWSA-N 1 2 362.452 -2.040 20 0 FAADLO COCCCS(=O)(=O)NCC[N@@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001188992623 791970247 /nfs/dbraw/zinc/97/02/47/791970247.db2.gz YEMSRXREOYAKOZ-NWDGAFQWSA-N 1 2 362.452 -2.040 20 0 FAADLO Cn1cc(C[N@H+]2C[C@@H]3CCN(C(=O)CCCS(N)(=O)=O)[C@@H]3C2)nn1 ZINC001189012168 791970674 /nfs/dbraw/zinc/97/06/74/791970674.db2.gz LCEOCEMSSVQJND-WCQYABFASA-N 1 2 356.452 -1.084 20 0 FAADLO Cn1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)CCCS(N)(=O)=O)[C@@H]3C2)nn1 ZINC001189012168 791970664 /nfs/dbraw/zinc/97/06/64/791970664.db2.gz LCEOCEMSSVQJND-WCQYABFASA-N 1 2 356.452 -1.084 20 0 FAADLO CS(=O)(=O)CC[N@H+]1C[C@@H]2CCN(C(=O)CCCS(N)(=O)=O)[C@@H]2C1 ZINC001189013245 791970893 /nfs/dbraw/zinc/97/08/93/791970893.db2.gz ZAYMVPUNZUYUGA-NWDGAFQWSA-N 1 2 367.493 -1.368 20 0 FAADLO CS(=O)(=O)CC[N@@H+]1C[C@@H]2CCN(C(=O)CCCS(N)(=O)=O)[C@@H]2C1 ZINC001189013245 791970885 /nfs/dbraw/zinc/97/08/85/791970885.db2.gz ZAYMVPUNZUYUGA-NWDGAFQWSA-N 1 2 367.493 -1.368 20 0 FAADLO CS(=O)(=O)NCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]nn3)[C@@H]2C1 ZINC001189167585 791974049 /nfs/dbraw/zinc/97/40/49/791974049.db2.gz VLZPNYHNUNESBA-WCQYABFASA-N 1 2 356.452 -1.181 20 0 FAADLO CS(=O)(=O)NCC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]nn3)[C@@H]2C1 ZINC001189167585 791974040 /nfs/dbraw/zinc/97/40/40/791974040.db2.gz VLZPNYHNUNESBA-WCQYABFASA-N 1 2 356.452 -1.181 20 0 FAADLO CS(=O)(=O)NCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3cn[nH]n3)[C@@H]2C1 ZINC001189167585 791974030 /nfs/dbraw/zinc/97/40/30/791974030.db2.gz VLZPNYHNUNESBA-WCQYABFASA-N 1 2 356.452 -1.181 20 0 FAADLO CS(=O)(=O)NCC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3cn[nH]n3)[C@@H]2C1 ZINC001189167585 791974027 /nfs/dbraw/zinc/97/40/27/791974027.db2.gz VLZPNYHNUNESBA-WCQYABFASA-N 1 2 356.452 -1.181 20 0 FAADLO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H]2C[N@@H+](Cc3cnnn3C)C[C@H]21 ZINC001189237653 791973851 /nfs/dbraw/zinc/97/38/51/791973851.db2.gz JBEODHMRGZVAIW-GMXVVIOVSA-N 1 2 356.452 -1.215 20 0 FAADLO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H]2C[N@H+](Cc3cnnn3C)C[C@H]21 ZINC001189237653 791973847 /nfs/dbraw/zinc/97/38/47/791973847.db2.gz JBEODHMRGZVAIW-GMXVVIOVSA-N 1 2 356.452 -1.215 20 0 FAADLO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H]2C[N@@H+](Cc3cnnn3C)C[C@H]21 ZINC001189237655 791973867 /nfs/dbraw/zinc/97/38/67/791973867.db2.gz JBEODHMRGZVAIW-NTZNESFSSA-N 1 2 356.452 -1.215 20 0 FAADLO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H]2C[N@H+](Cc3cnnn3C)C[C@H]21 ZINC001189237655 791973862 /nfs/dbraw/zinc/97/38/62/791973862.db2.gz JBEODHMRGZVAIW-NTZNESFSSA-N 1 2 356.452 -1.215 20 0 FAADLO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H]2C[N@@H+](CCS(C)(=O)=O)C[C@H]21 ZINC001189237716 791974351 /nfs/dbraw/zinc/97/43/51/791974351.db2.gz JUIQYPNYVFBADH-GRYCIOLGSA-N 1 2 367.493 -1.499 20 0 FAADLO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H]2C[N@H+](CCS(C)(=O)=O)C[C@H]21 ZINC001189237716 791974346 /nfs/dbraw/zinc/97/43/46/791974346.db2.gz JUIQYPNYVFBADH-GRYCIOLGSA-N 1 2 367.493 -1.499 20 0 FAADLO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H]2C[N@@H+](CCS(C)(=O)=O)C[C@H]21 ZINC001189237721 791973928 /nfs/dbraw/zinc/97/39/28/791973928.db2.gz JUIQYPNYVFBADH-SDDRHHMPSA-N 1 2 367.493 -1.499 20 0 FAADLO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H]2C[N@H+](CCS(C)(=O)=O)C[C@H]21 ZINC001189237721 791973920 /nfs/dbraw/zinc/97/39/20/791973920.db2.gz JUIQYPNYVFBADH-SDDRHHMPSA-N 1 2 367.493 -1.499 20 0 FAADLO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H]2C[N@@H+](Cc3cn(C)nn3)C[C@H]21 ZINC001189246790 791975029 /nfs/dbraw/zinc/97/50/29/791975029.db2.gz TXBNCRHGJACJJZ-GMXVVIOVSA-N 1 2 356.452 -1.215 20 0 FAADLO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H]2C[N@H+](Cc3cn(C)nn3)C[C@H]21 ZINC001189246790 791975023 /nfs/dbraw/zinc/97/50/23/791975023.db2.gz TXBNCRHGJACJJZ-GMXVVIOVSA-N 1 2 356.452 -1.215 20 0 FAADLO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H]2C[N@@H+](Cc3cn(C)nn3)C[C@H]21 ZINC001189246793 791975244 /nfs/dbraw/zinc/97/52/44/791975244.db2.gz TXBNCRHGJACJJZ-NTZNESFSSA-N 1 2 356.452 -1.215 20 0 FAADLO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H]2C[N@H+](Cc3cn(C)nn3)C[C@H]21 ZINC001189246793 791975237 /nfs/dbraw/zinc/97/52/37/791975237.db2.gz TXBNCRHGJACJJZ-NTZNESFSSA-N 1 2 356.452 -1.215 20 0 FAADLO CN(C)S(=O)(=O)NCC(=O)N1CC[C@H]2C[N@@H+](Cc3cn(C)nn3)C[C@H]21 ZINC001189275427 791974860 /nfs/dbraw/zinc/97/48/60/791974860.db2.gz BYYZYHQMLZSNNH-WCQYABFASA-N 1 2 371.467 -1.756 20 0 FAADLO CN(C)S(=O)(=O)NCC(=O)N1CC[C@H]2C[N@H+](Cc3cn(C)nn3)C[C@H]21 ZINC001189275427 791974854 /nfs/dbraw/zinc/97/48/54/791974854.db2.gz BYYZYHQMLZSNNH-WCQYABFASA-N 1 2 371.467 -1.756 20 0 FAADLO 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/nfs/dbraw/zinc/00/37/96/792003796.db2.gz MFDRMKOJZMPVGQ-FRRDWIJNSA-N 1 2 358.345 -1.172 20 0 FAADLO NC(=O)NCC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2cc(F)ccc2F)C[C@H]1O ZINC001190894873 792003787 /nfs/dbraw/zinc/00/37/87/792003787.db2.gz MFDRMKOJZMPVGQ-FRRDWIJNSA-N 1 2 358.345 -1.172 20 0 FAADLO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2cc(F)ccc2F)C[C@H]1O ZINC001190894874 792003109 /nfs/dbraw/zinc/00/31/09/792003109.db2.gz MFDRMKOJZMPVGQ-JHJVBQTASA-N 1 2 358.345 -1.172 20 0 FAADLO NC(=O)NCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2cc(F)ccc2F)C[C@H]1O ZINC001190894874 792003099 /nfs/dbraw/zinc/00/30/99/792003099.db2.gz MFDRMKOJZMPVGQ-JHJVBQTASA-N 1 2 358.345 -1.172 20 0 FAADLO CCOCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190894894 792003207 /nfs/dbraw/zinc/00/32/07/792003207.db2.gz MVYVHEUEGGTAIY-IJLUTSLNSA-N 1 2 359.427 -2.253 20 0 FAADLO CCOCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190894894 792003195 /nfs/dbraw/zinc/00/31/95/792003195.db2.gz MVYVHEUEGGTAIY-IJLUTSLNSA-N 1 2 359.427 -2.253 20 0 FAADLO CCOCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190894895 792003404 /nfs/dbraw/zinc/00/34/04/792003404.db2.gz MVYVHEUEGGTAIY-QJPTWQEYSA-N 1 2 359.427 -2.253 20 0 FAADLO CCOCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190894895 792003396 /nfs/dbraw/zinc/00/33/96/792003396.db2.gz MVYVHEUEGGTAIY-QJPTWQEYSA-N 1 2 359.427 -2.253 20 0 FAADLO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1O ZINC001190894901 792003474 /nfs/dbraw/zinc/00/34/74/792003474.db2.gz NCGAEQUEPCXMDF-CYZMBNFOSA-N 1 2 357.455 -1.230 20 0 FAADLO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1O ZINC001190894901 792003461 /nfs/dbraw/zinc/00/34/61/792003461.db2.gz NCGAEQUEPCXMDF-CYZMBNFOSA-N 1 2 357.455 -1.230 20 0 FAADLO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1O ZINC001190894902 792003705 /nfs/dbraw/zinc/00/37/05/792003705.db2.gz NCGAEQUEPCXMDF-RAIGVLPGSA-N 1 2 357.455 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C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190894924 792004491 /nfs/dbraw/zinc/00/44/91/792004491.db2.gz NSXNHNGJMRFAPP-FXBDTBDDSA-N 1 2 356.383 -2.807 20 0 FAADLO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190894924 792004481 /nfs/dbraw/zinc/00/44/81/792004481.db2.gz NSXNHNGJMRFAPP-FXBDTBDDSA-N 1 2 356.383 -2.807 20 0 FAADLO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190894927 792005001 /nfs/dbraw/zinc/00/50/01/792005001.db2.gz NSXNHNGJMRFAPP-SZEHBUNVSA-N 1 2 356.383 -2.807 20 0 FAADLO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190894927 792004989 /nfs/dbraw/zinc/00/49/89/792004989.db2.gz NSXNHNGJMRFAPP-SZEHBUNVSA-N 1 2 356.383 -2.807 20 0 FAADLO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1O ZINC001190894958 792004943 /nfs/dbraw/zinc/00/49/43/792004943.db2.gz OBQIABGBXMVHMW-LERXQTSPSA-N 1 2 361.464 -1.503 20 0 FAADLO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1O ZINC001190894958 792004932 /nfs/dbraw/zinc/00/49/32/792004932.db2.gz OBQIABGBXMVHMW-LERXQTSPSA-N 1 2 361.464 -1.503 20 0 FAADLO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1O ZINC001190894960 792004209 /nfs/dbraw/zinc/00/42/09/792004209.db2.gz OBQIABGBXMVHMW-ZLKJLUDKSA-N 1 2 361.464 -1.503 20 0 FAADLO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1O ZINC001190894960 792004196 /nfs/dbraw/zinc/00/41/96/792004196.db2.gz OBQIABGBXMVHMW-ZLKJLUDKSA-N 1 2 361.464 -1.503 20 0 FAADLO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001190895303 792004615 /nfs/dbraw/zinc/00/46/15/792004615.db2.gz TUGXPAGISAOHOJ-CYZMBNFOSA-N 1 2 362.452 -2.292 20 0 FAADLO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001190895303 792004604 /nfs/dbraw/zinc/00/46/04/792004604.db2.gz TUGXPAGISAOHOJ-CYZMBNFOSA-N 1 2 362.452 -2.292 20 0 FAADLO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001190895304 792004788 /nfs/dbraw/zinc/00/47/88/792004788.db2.gz TUGXPAGISAOHOJ-RAIGVLPGSA-N 1 2 362.452 -2.292 20 0 FAADLO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001190895304 792004777 /nfs/dbraw/zinc/00/47/77/792004777.db2.gz TUGXPAGISAOHOJ-RAIGVLPGSA-N 1 2 362.452 -2.292 20 0 FAADLO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCn2c(C)csc2=O)C[C@H]1O ZINC001190895653 792005281 /nfs/dbraw/zinc/00/52/81/792005281.db2.gz YSNVWEIIEWUJTD-CYZMBNFOSA-N 1 2 356.448 -1.096 20 0 FAADLO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCn2c(C)csc2=O)C[C@H]1O ZINC001190895653 792005268 /nfs/dbraw/zinc/00/52/68/792005268.db2.gz YSNVWEIIEWUJTD-CYZMBNFOSA-N 1 2 356.448 -1.096 20 0 FAADLO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCn2c(C)csc2=O)C[C@H]1O ZINC001190895654 792005061 /nfs/dbraw/zinc/00/50/61/792005061.db2.gz YSNVWEIIEWUJTD-RAIGVLPGSA-N 1 2 356.448 -1.096 20 0 FAADLO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@H+](CCn2c(C)csc2=O)C[C@H]1O ZINC001190895654 792005050 /nfs/dbraw/zinc/00/50/50/792005050.db2.gz YSNVWEIIEWUJTD-RAIGVLPGSA-N 1 2 356.448 -1.096 20 0 FAADLO C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H]([N@@H+](C)CCNS(C)(=O)=O)C2)O1 ZINC001190900456 792002836 /nfs/dbraw/zinc/00/28/36/792002836.db2.gz PYKPITBGSAODDN-HZSPNIEDSA-N 1 2 362.496 -1.213 20 0 FAADLO C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H]([N@H+](C)CCNS(C)(=O)=O)C2)O1 ZINC001190900456 792002827 /nfs/dbraw/zinc/00/28/27/792002827.db2.gz PYKPITBGSAODDN-HZSPNIEDSA-N 1 2 362.496 -1.213 20 0 FAADLO C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CCNS(C)(=O)=O)C2)O1 ZINC001190900461 792002551 /nfs/dbraw/zinc/00/25/51/792002551.db2.gz PYKPITBGSAODDN-MGPQQGTHSA-N 1 2 362.496 -1.213 20 0 FAADLO C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H]([N@H+](C)CCNS(C)(=O)=O)C2)O1 ZINC001190900461 792002539 /nfs/dbraw/zinc/00/25/39/792002539.db2.gz PYKPITBGSAODDN-MGPQQGTHSA-N 1 2 362.496 -1.213 20 0 FAADLO CC(C)N(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1)C(C)C ZINC001190904970 792007314 /nfs/dbraw/zinc/00/73/14/792007314.db2.gz NSFCMDNFFIVMGF-CHWSQXEVSA-N 1 2 353.427 -1.520 20 0 FAADLO CC(C)N(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1)C(C)C ZINC001190904970 792007300 /nfs/dbraw/zinc/00/73/00/792007300.db2.gz NSFCMDNFFIVMGF-CHWSQXEVSA-N 1 2 353.427 -1.520 20 0 FAADLO CCCN(CCC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001190904998 792006993 /nfs/dbraw/zinc/00/69/93/792006993.db2.gz PDBLQBNHBKVPCL-CHWSQXEVSA-N 1 2 353.427 -1.517 20 0 FAADLO CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001190904998 792006983 /nfs/dbraw/zinc/00/69/83/792006983.db2.gz PDBLQBNHBKVPCL-CHWSQXEVSA-N 1 2 353.427 -1.517 20 0 FAADLO CC(C)(C)NC(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001190905376 792006641 /nfs/dbraw/zinc/00/66/41/792006641.db2.gz UOOSMCLMBIMPON-GHMZBOCLSA-N 1 2 354.415 -2.068 20 0 FAADLO CC(C)(C)NC(=O)NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001190905376 792006631 /nfs/dbraw/zinc/00/66/31/792006631.db2.gz UOOSMCLMBIMPON-GHMZBOCLSA-N 1 2 354.415 -2.068 20 0 FAADLO C[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCC2=O)C1)CS(C)(=O)=O ZINC001190921721 792007389 /nfs/dbraw/zinc/00/73/89/792007389.db2.gz DDCWCBKUCHTODP-JHJVBQTASA-N 1 2 361.464 -1.549 20 0 FAADLO C[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCC2=O)C1)CS(C)(=O)=O ZINC001190921721 792007377 /nfs/dbraw/zinc/00/73/77/792007377.db2.gz DDCWCBKUCHTODP-JHJVBQTASA-N 1 2 361.464 -1.549 20 0 FAADLO C[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCC2=O)C1)CS(C)(=O)=O ZINC001190921722 792007041 /nfs/dbraw/zinc/00/70/41/792007041.db2.gz DDCWCBKUCHTODP-YNEHKIRRSA-N 1 2 361.464 -1.549 20 0 FAADLO C[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCC2=O)C1)CS(C)(=O)=O ZINC001190921722 792007034 /nfs/dbraw/zinc/00/70/34/792007034.db2.gz DDCWCBKUCHTODP-YNEHKIRRSA-N 1 2 361.464 -1.549 20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCC2=O)C1 ZINC001190922181 792006935 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COCCOC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2snnc2C)C1 ZINC001190983797 792010329 /nfs/dbraw/zinc/01/03/29/792010329.db2.gz NWDYCUCKVUTQFK-IJLUTSLNSA-N 1 2 360.436 -1.355 20 0 FAADLO COCCOC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2snnc2C)C1 ZINC001190983799 792010674 /nfs/dbraw/zinc/01/06/74/792010674.db2.gz NWDYCUCKVUTQFK-QJPTWQEYSA-N 1 2 360.436 -1.355 20 0 FAADLO COCCOC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2snnc2C)C1 ZINC001190983799 792010664 /nfs/dbraw/zinc/01/06/64/792010664.db2.gz NWDYCUCKVUTQFK-QJPTWQEYSA-N 1 2 360.436 -1.355 20 0 FAADLO Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]2O)n1C ZINC001190999906 792010802 /nfs/dbraw/zinc/01/08/02/792010802.db2.gz PVNUGIIYODUVQZ-TZMCWYRMSA-N 1 2 358.464 -1.000 20 0 FAADLO Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]2O)n1C ZINC001190999906 792010794 /nfs/dbraw/zinc/01/07/94/792010794.db2.gz PVNUGIIYODUVQZ-TZMCWYRMSA-N 1 2 358.464 -1.000 20 0 FAADLO COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cccn2)C1 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CC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC(C(N)=O)CC2)C[C@H]1O ZINC001191113784 792012237 /nfs/dbraw/zinc/01/22/37/792012237.db2.gz FYGBBYQNORQCND-MRVWCRGKSA-N 1 2 354.451 -1.082 20 0 FAADLO CC[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC(C(N)=O)CC2)C[C@H]1O ZINC001191113784 792012228 /nfs/dbraw/zinc/01/22/28/792012228.db2.gz FYGBBYQNORQCND-MRVWCRGKSA-N 1 2 354.451 -1.082 20 0 FAADLO CN(CC1CC1)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cncn2)C1 ZINC001191113820 792012097 /nfs/dbraw/zinc/01/20/97/792012097.db2.gz GYEOYDTWIWEQIR-ZIAGYGMSSA-N 1 2 350.423 -1.302 20 0 FAADLO CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cncn2)C1 ZINC001191113820 792012090 /nfs/dbraw/zinc/01/20/90/792012090.db2.gz GYEOYDTWIWEQIR-ZIAGYGMSSA-N 1 2 350.423 -1.302 20 0 FAADLO O=C(CCn1cncn1)N[C@@H]1C[N@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001191113907 792012782 /nfs/dbraw/zinc/01/27/82/792012782.db2.gz JHEXRWXKKOZPOF-BFHYXJOUSA-N 1 2 371.463 -1.346 20 0 FAADLO 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O=C(CCn1cncn1)N[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1O ZINC001191114526 792012593 /nfs/dbraw/zinc/01/25/93/792012593.db2.gz WVVQFWMIWVXTNE-ZIAGYGMSSA-N 1 2 350.423 -1.158 20 0 FAADLO O=C(CCn1cncn1)N[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1O ZINC001191114526 792012581 /nfs/dbraw/zinc/01/25/81/792012581.db2.gz WVVQFWMIWVXTNE-ZIAGYGMSSA-N 1 2 350.423 -1.158 20 0 FAADLO Cn1c[nH+]c(CCNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)c1 ZINC001191114603 792011968 /nfs/dbraw/zinc/01/19/68/792011968.db2.gz UMSWKAPVWWYIKO-UHFFFAOYSA-N 1 2 351.454 -1.626 20 0 FAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cncn2)C1 ZINC001191119867 792012827 /nfs/dbraw/zinc/01/28/27/792012827.db2.gz AHKXVCYQYYKAEC-GMTAPVOTSA-N 1 2 353.383 -2.326 20 0 FAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cncn2)C1 ZINC001191119867 792012816 /nfs/dbraw/zinc/01/28/16/792012816.db2.gz AHKXVCYQYYKAEC-GMTAPVOTSA-N 1 2 353.383 -2.326 20 0 FAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cncn2)C1 ZINC001191119874 792012023 /nfs/dbraw/zinc/01/20/23/792012023.db2.gz AHKXVCYQYYKAEC-HBNTYKKESA-N 1 2 353.383 -2.326 20 0 FAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cncn2)C1 ZINC001191119874 792012017 /nfs/dbraw/zinc/01/20/17/792012017.db2.gz AHKXVCYQYYKAEC-HBNTYKKESA-N 1 2 353.383 -2.326 20 0 FAADLO CCN(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cncn2)C1)C1CC1 ZINC001191120002 792012486 /nfs/dbraw/zinc/01/24/86/792012486.db2.gz BVWWMGPFNALHLM-ZIAGYGMSSA-N 1 2 350.423 -1.160 20 0 FAADLO CCN(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cncn2)C1)C1CC1 ZINC001191120002 792012474 /nfs/dbraw/zinc/01/24/74/792012474.db2.gz BVWWMGPFNALHLM-ZIAGYGMSSA-N 1 2 350.423 -1.160 20 0 FAADLO O=C(CCn1cncn1)N[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1O ZINC001191120067 792014125 /nfs/dbraw/zinc/01/41/25/792014125.db2.gz CHXHWKMPMFFZJT-ZIAGYGMSSA-N 1 2 371.463 -1.346 20 0 FAADLO O=C(CCn1cncn1)N[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1O ZINC001191120067 792014116 /nfs/dbraw/zinc/01/41/16/792014116.db2.gz CHXHWKMPMFFZJT-ZIAGYGMSSA-N 1 2 371.463 -1.346 20 0 FAADLO CC(C)N1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CCn3cncn3)C2)C1=O ZINC001191120705 792013699 /nfs/dbraw/zinc/01/36/99/792013699.db2.gz JPLVRWGJNFKLJX-HZSPNIEDSA-N 1 2 350.423 -1.161 20 0 FAADLO CC(C)N1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CCn3cncn3)C2)C1=O ZINC001191120705 792013688 /nfs/dbraw/zinc/01/36/88/792013688.db2.gz JPLVRWGJNFKLJX-HZSPNIEDSA-N 1 2 350.423 -1.161 20 0 FAADLO CC(C)N1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CCn3cncn3)C2)C1=O ZINC001191120706 792013215 /nfs/dbraw/zinc/01/32/15/792013215.db2.gz JPLVRWGJNFKLJX-MGPQQGTHSA-N 1 2 350.423 -1.161 20 0 FAADLO CC(C)N1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CCn3cncn3)C2)C1=O ZINC001191120706 792013204 /nfs/dbraw/zinc/01/32/04/792013204.db2.gz JPLVRWGJNFKLJX-MGPQQGTHSA-N 1 2 350.423 -1.161 20 0 FAADLO C[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cncn2)C1)CS(C)(=O)=O ZINC001191120714 792014283 /nfs/dbraw/zinc/01/42/83/792014283.db2.gz 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FAADLO CN(CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cncn2)C1)S(C)(=O)=O ZINC001191121139 792014220 /nfs/dbraw/zinc/01/42/20/792014220.db2.gz ODFRIRDFSAEELG-VXGBXAGGSA-N 1 2 360.440 -2.279 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cncn2)C1)S(C)(=O)=O ZINC001191121139 792014212 /nfs/dbraw/zinc/01/42/12/792014212.db2.gz ODFRIRDFSAEELG-VXGBXAGGSA-N 1 2 360.440 -2.279 20 0 FAADLO O=C(CCn1cncn1)N[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001191121434 792013159 /nfs/dbraw/zinc/01/31/59/792013159.db2.gz SIKWQRGFZBMMEX-JHJVBQTASA-N 1 2 357.436 -1.736 20 0 FAADLO O=C(CCn1cncn1)N[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001191121434 792013152 /nfs/dbraw/zinc/01/31/52/792013152.db2.gz SIKWQRGFZBMMEX-JHJVBQTASA-N 1 2 357.436 -1.736 20 0 FAADLO O=C(CCn1cncn1)N[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001191121436 792013979 /nfs/dbraw/zinc/01/39/79/792013979.db2.gz SIKWQRGFZBMMEX-YNEHKIRRSA-N 1 2 357.436 -1.736 20 0 FAADLO O=C(CCn1cncn1)N[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001191121436 792013961 /nfs/dbraw/zinc/01/39/61/792013961.db2.gz SIKWQRGFZBMMEX-YNEHKIRRSA-N 1 2 357.436 -1.736 20 0 FAADLO CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cncn2)C1 ZINC001191122130 792014182 /nfs/dbraw/zinc/01/41/82/792014182.db2.gz XRNPFMUOTMNTKF-BFHYXJOUSA-N 1 2 352.439 -1.010 20 0 FAADLO CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cncn2)C1 ZINC001191122130 792014171 /nfs/dbraw/zinc/01/41/71/792014171.db2.gz XRNPFMUOTMNTKF-BFHYXJOUSA-N 1 2 352.439 -1.010 20 0 FAADLO CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cncn2)C1 ZINC001191122131 792014007 /nfs/dbraw/zinc/01/40/07/792014007.db2.gz XRNPFMUOTMNTKF-MGPQQGTHSA-N 1 2 352.439 -1.010 20 0 FAADLO CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cncn2)C1 ZINC001191122131 792014001 /nfs/dbraw/zinc/01/40/01/792014001.db2.gz XRNPFMUOTMNTKF-MGPQQGTHSA-N 1 2 352.439 -1.010 20 0 FAADLO 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CC[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCN(C(C)=O)CC2)C[C@H]1O ZINC001191128051 792013724 /nfs/dbraw/zinc/01/37/24/792013724.db2.gz SQGXUGSKKLAPDR-BPLDGKMQSA-N 1 2 354.451 -1.116 20 0 FAADLO CC[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCN(C(C)=O)CC2)C[C@H]1O ZINC001191128052 792013554 /nfs/dbraw/zinc/01/35/54/792013554.db2.gz SQGXUGSKKLAPDR-NWANDNLSSA-N 1 2 354.451 -1.116 20 0 FAADLO CC[C@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCN(C(C)=O)CC2)C[C@H]1O ZINC001191128052 792013543 /nfs/dbraw/zinc/01/35/43/792013543.db2.gz SQGXUGSKKLAPDR-NWANDNLSSA-N 1 2 354.451 -1.116 20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cccn2)C1 ZINC001191140874 792016196 /nfs/dbraw/zinc/01/61/96/792016196.db2.gz DDLHXHZVWNIZIW-CHWSQXEVSA-N 1 2 359.452 -1.626 20 0 FAADLO CCS(=O)(=O)NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cccn2)C1 ZINC001191140874 792016183 /nfs/dbraw/zinc/01/61/83/792016183.db2.gz DDLHXHZVWNIZIW-CHWSQXEVSA-N 1 2 359.452 -1.626 20 0 FAADLO O=C(CCn1cccn1)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001191140918 792016265 /nfs/dbraw/zinc/01/62/65/792016265.db2.gz FJTFLSOMDLXLGJ-ZIAGYGMSSA-N 1 2 371.463 -1.530 20 0 FAADLO O=C(CCn1cccn1)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001191140918 792016255 /nfs/dbraw/zinc/01/62/55/792016255.db2.gz FJTFLSOMDLXLGJ-ZIAGYGMSSA-N 1 2 371.463 -1.530 20 0 FAADLO CN(CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cccn2)C1)S(C)(=O)=O ZINC001191141139 792016111 /nfs/dbraw/zinc/01/61/11/792016111.db2.gz GTZLEKGOXKSHDR-CHWSQXEVSA-N 1 2 359.452 -1.674 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cccn2)C1)S(C)(=O)=O ZINC001191141139 792016101 /nfs/dbraw/zinc/01/61/01/792016101.db2.gz GTZLEKGOXKSHDR-CHWSQXEVSA-N 1 2 359.452 -1.674 20 0 FAADLO O=C(CCn1cccn1)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001191142231 792016158 /nfs/dbraw/zinc/01/61/58/792016158.db2.gz XJCDDVCVHUDBLK-ZIAGYGMSSA-N 1 2 351.407 -1.707 20 0 FAADLO O=C(CCn1cccn1)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001191142231 792016148 /nfs/dbraw/zinc/01/61/48/792016148.db2.gz XJCDDVCVHUDBLK-ZIAGYGMSSA-N 1 2 351.407 -1.707 20 0 FAADLO O=C(CCn1cccn1)N[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001191142233 792015920 /nfs/dbraw/zinc/01/59/20/792015920.db2.gz XLPPZPBZHJNRAE-BFHYXJOUSA-N 1 2 356.448 -1.131 20 0 FAADLO O=C(CCn1cccn1)N[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001191142233 792015914 /nfs/dbraw/zinc/01/59/14/792015914.db2.gz XLPPZPBZHJNRAE-BFHYXJOUSA-N 1 2 356.448 -1.131 20 0 FAADLO O=C(CCn1cccn1)N[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001191142234 792016338 /nfs/dbraw/zinc/01/63/38/792016338.db2.gz XLPPZPBZHJNRAE-MGPQQGTHSA-N 1 2 356.448 -1.131 20 0 FAADLO O=C(CCn1cccn1)N[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001191142234 792016325 /nfs/dbraw/zinc/01/63/25/792016325.db2.gz XLPPZPBZHJNRAE-MGPQQGTHSA-N 1 2 356.448 -1.131 20 0 FAADLO CC(C)SCC(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1O ZINC001191149250 792013844 /nfs/dbraw/zinc/01/38/44/792013844.db2.gz JSWDANDKZSQLJB-CHWSQXEVSA-N 1 2 370.475 -1.113 20 0 FAADLO CC(C)SCC(=O)N[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1O ZINC001191149250 792013836 /nfs/dbraw/zinc/01/38/36/792013836.db2.gz JSWDANDKZSQLJB-CHWSQXEVSA-N 1 2 370.475 -1.113 20 0 FAADLO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@H]1O ZINC001191156254 792013625 /nfs/dbraw/zinc/01/36/25/792013625.db2.gz HJNIYQMTBUDREY-HUUCEWRRSA-N 1 2 354.451 -1.116 20 0 FAADLO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@H]1O ZINC001191156254 792013620 /nfs/dbraw/zinc/01/36/20/792013620.db2.gz HJNIYQMTBUDREY-HUUCEWRRSA-N 1 2 354.451 -1.116 20 0 FAADLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)C(C)=O)C1 ZINC001191156338 792014961 /nfs/dbraw/zinc/01/49/61/792014961.db2.gz IWLGCWAJWDVPLL-MVWJERBFSA-N 1 2 357.411 -2.140 20 0 FAADLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)C(C)=O)C1 ZINC001191156338 792014957 /nfs/dbraw/zinc/01/49/57/792014957.db2.gz IWLGCWAJWDVPLL-MVWJERBFSA-N 1 2 357.411 -2.140 20 0 FAADLO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)C(C)=O)C1 ZINC001191156339 792014564 /nfs/dbraw/zinc/01/45/64/792014564.db2.gz IWLGCWAJWDVPLL-YUSALJHKSA-N 1 2 357.411 -2.140 20 0 FAADLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)C(C)=O)C1 ZINC001191156339 792014556 /nfs/dbraw/zinc/01/45/56/792014556.db2.gz IWLGCWAJWDVPLL-YUSALJHKSA-N 1 2 357.411 -2.140 20 0 FAADLO CN(CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCO2)C1)S(C)(=O)=O ZINC001191167174 792015065 /nfs/dbraw/zinc/01/50/65/792015065.db2.gz BLWQADFNRHQUPE-IJLUTSLNSA-N 1 2 351.425 -2.546 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCO2)C1)S(C)(=O)=O ZINC001191167174 792015056 /nfs/dbraw/zinc/01/50/56/792015056.db2.gz BLWQADFNRHQUPE-IJLUTSLNSA-N 1 2 351.425 -2.546 20 0 FAADLO CN(CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCO2)C1)S(C)(=O)=O ZINC001191167175 792015187 /nfs/dbraw/zinc/01/51/87/792015187.db2.gz BLWQADFNRHQUPE-UTUOFQBUSA-N 1 2 351.425 -2.546 20 0 FAADLO 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FAADLO C[C@H](C(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1O)n1cncn1 ZINC001192270228 792064892 /nfs/dbraw/zinc/06/48/92/792064892.db2.gz BPWMBHTUTMBGAG-IJLUTSLNSA-N 1 2 360.440 -2.108 20 0 FAADLO C[C@H](C(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1O)n1cncn1 ZINC001192270228 792064880 /nfs/dbraw/zinc/06/48/80/792064880.db2.gz BPWMBHTUTMBGAG-IJLUTSLNSA-N 1 2 360.440 -2.108 20 0 FAADLO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1O)n1cncn1 ZINC001192270229 792064334 /nfs/dbraw/zinc/06/43/34/792064334.db2.gz BPWMBHTUTMBGAG-QJPTWQEYSA-N 1 2 360.440 -2.108 20 0 FAADLO C[C@@H](C(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1O)n1cncn1 ZINC001192270229 792064321 /nfs/dbraw/zinc/06/43/21/792064321.db2.gz BPWMBHTUTMBGAG-QJPTWQEYSA-N 1 2 360.440 -2.108 20 0 FAADLO CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001192270388 792064225 /nfs/dbraw/zinc/06/42/25/792064225.db2.gz DJSYSBNWVQFJLF-RBSFLKMASA-N 1 2 356.467 -1.263 20 0 FAADLO CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001192270388 792064216 /nfs/dbraw/zinc/06/42/16/792064216.db2.gz DJSYSBNWVQFJLF-RBSFLKMASA-N 1 2 356.467 -1.263 20 0 FAADLO CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001192270389 792064517 /nfs/dbraw/zinc/06/45/17/792064517.db2.gz DJSYSBNWVQFJLF-RRFJBIMHSA-N 1 2 356.467 -1.263 20 0 FAADLO CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001192270389 792064509 /nfs/dbraw/zinc/06/45/09/792064509.db2.gz DJSYSBNWVQFJLF-RRFJBIMHSA-N 1 2 356.467 -1.263 20 0 FAADLO CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001192270457 792064772 /nfs/dbraw/zinc/06/47/72/792064772.db2.gz FKVVSEIQXPYIDC-RBSFLKMASA-N 1 2 356.467 -1.265 20 0 FAADLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001192270457 792064762 /nfs/dbraw/zinc/06/47/62/792064762.db2.gz FKVVSEIQXPYIDC-RBSFLKMASA-N 1 2 356.467 -1.265 20 0 FAADLO CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001192270460 792065000 /nfs/dbraw/zinc/06/50/00/792065000.db2.gz FKVVSEIQXPYIDC-RRFJBIMHSA-N 1 2 356.467 -1.265 20 0 FAADLO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001192270460 792064991 /nfs/dbraw/zinc/06/49/91/792064991.db2.gz FKVVSEIQXPYIDC-RRFJBIMHSA-N 1 2 356.467 -1.265 20 0 FAADLO C[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1)CS(C)(=O)=O ZINC001192270879 792064589 /nfs/dbraw/zinc/06/45/89/792064589.db2.gz KGAHFQWPGRZEQS-BFHYXJOUSA-N 1 2 363.480 -1.839 20 0 FAADLO C[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1)CS(C)(=O)=O ZINC001192270879 792064580 /nfs/dbraw/zinc/06/45/80/792064580.db2.gz KGAHFQWPGRZEQS-BFHYXJOUSA-N 1 2 363.480 -1.839 20 0 FAADLO C[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1)CS(C)(=O)=O ZINC001192270883 792064931 /nfs/dbraw/zinc/06/49/31/792064931.db2.gz KGAHFQWPGRZEQS-MGPQQGTHSA-N 1 2 363.480 -1.839 20 0 FAADLO C[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1)CS(C)(=O)=O ZINC001192270883 792064915 /nfs/dbraw/zinc/06/49/15/792064915.db2.gz KGAHFQWPGRZEQS-MGPQQGTHSA-N 1 2 363.480 -1.839 20 0 FAADLO CCN(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1)C1CC1 ZINC001192270895 792065068 /nfs/dbraw/zinc/06/50/68/792065068.db2.gz KSCRBIIWLWCHPQ-HUUCEWRRSA-N 1 2 354.451 -1.509 20 0 FAADLO CCN(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1)C1CC1 ZINC001192270895 792065058 /nfs/dbraw/zinc/06/50/58/792065058.db2.gz KSCRBIIWLWCHPQ-HUUCEWRRSA-N 1 2 354.451 -1.509 20 0 FAADLO CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001192270964 792064658 /nfs/dbraw/zinc/06/46/58/792064658.db2.gz MGCYKJAFUSHZDK-RBSFLKMASA-N 1 2 356.467 -1.359 20 0 FAADLO CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001192270964 792064647 /nfs/dbraw/zinc/06/46/47/792064647.db2.gz MGCYKJAFUSHZDK-RBSFLKMASA-N 1 2 356.467 -1.359 20 0 FAADLO CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001192270965 792064145 /nfs/dbraw/zinc/06/41/45/792064145.db2.gz MGCYKJAFUSHZDK-RRFJBIMHSA-N 1 2 356.467 -1.359 20 0 FAADLO CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001192270965 792064133 /nfs/dbraw/zinc/06/41/33/792064133.db2.gz MGCYKJAFUSHZDK-RRFJBIMHSA-N 1 2 356.467 -1.359 20 0 FAADLO CC(C)NC(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCN2C)C1 ZINC001192271164 792064692 /nfs/dbraw/zinc/06/46/92/792064692.db2.gz PHCUUHLVHHSOQG-HZSPNIEDSA-N 1 2 357.455 -1.814 20 0 FAADLO CC(C)NC(=O)NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCN2C)C1 ZINC001192271164 792064683 /nfs/dbraw/zinc/06/46/83/792064683.db2.gz PHCUUHLVHHSOQG-HZSPNIEDSA-N 1 2 357.455 -1.814 20 0 FAADLO CC(C)NC(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCN2C)C1 ZINC001192271165 792065035 /nfs/dbraw/zinc/06/50/35/792065035.db2.gz PHCUUHLVHHSOQG-MGPQQGTHSA-N 1 2 357.455 -1.814 20 0 FAADLO CC(C)NC(=O)NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCN2C)C1 ZINC001192271165 792065025 /nfs/dbraw/zinc/06/50/25/792065025.db2.gz PHCUUHLVHHSOQG-MGPQQGTHSA-N 1 2 357.455 -1.814 20 0 FAADLO CC(C)NC(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)n2cncn2)C1 ZINC001192271385 792064118 /nfs/dbraw/zinc/06/41/18/792064118.db2.gz UKPROAFLAYZPSR-JHJVBQTASA-N 1 2 353.427 -1.292 20 0 FAADLO CC(C)NC(=O)NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)n2cncn2)C1 ZINC001192271385 792064105 /nfs/dbraw/zinc/06/41/05/792064105.db2.gz UKPROAFLAYZPSR-JHJVBQTASA-N 1 2 353.427 -1.292 20 0 FAADLO CC(C)NC(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)n2cncn2)C1 ZINC001192271386 792063987 /nfs/dbraw/zinc/06/39/87/792063987.db2.gz UKPROAFLAYZPSR-YNEHKIRRSA-N 1 2 353.427 -1.292 20 0 FAADLO CC(C)NC(=O)NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)n2cncn2)C1 ZINC001192271386 792063983 /nfs/dbraw/zinc/06/39/83/792063983.db2.gz UKPROAFLAYZPSR-YNEHKIRRSA-N 1 2 353.427 -1.292 20 0 FAADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001192271401 792064052 /nfs/dbraw/zinc/06/40/52/792064052.db2.gz UUNZHLXPLXULSP-BFHYXJOUSA-N 1 2 356.467 -1.217 20 0 FAADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001192271401 792064042 /nfs/dbraw/zinc/06/40/42/792064042.db2.gz UUNZHLXPLXULSP-BFHYXJOUSA-N 1 2 356.467 -1.217 20 0 FAADLO C[C@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001192271402 792064190 /nfs/dbraw/zinc/06/41/90/792064190.db2.gz UUNZHLXPLXULSP-MGPQQGTHSA-N 1 2 356.467 -1.217 20 0 FAADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001192271402 792064182 /nfs/dbraw/zinc/06/41/82/792064182.db2.gz UUNZHLXPLXULSP-MGPQQGTHSA-N 1 2 356.467 -1.217 20 0 FAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001192271405 792064077 /nfs/dbraw/zinc/06/40/77/792064077.db2.gz UYAPLOQIHWKQNO-IJLUTSLNSA-N 1 2 357.411 -2.676 20 0 FAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001192271405 792064066 /nfs/dbraw/zinc/06/40/66/792064066.db2.gz UYAPLOQIHWKQNO-IJLUTSLNSA-N 1 2 357.411 -2.676 20 0 FAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001192271406 792064407 /nfs/dbraw/zinc/06/44/07/792064407.db2.gz UYAPLOQIHWKQNO-QJPTWQEYSA-N 1 2 357.411 -2.676 20 0 FAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001192271406 792064396 /nfs/dbraw/zinc/06/43/96/792064396.db2.gz UYAPLOQIHWKQNO-QJPTWQEYSA-N 1 2 357.411 -2.676 20 0 FAADLO CC[C@H](C)OCC(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001192281578 792065860 /nfs/dbraw/zinc/06/58/60/792065860.db2.gz VLNZALSOXKYNIB-BFHYXJOUSA-N 1 2 363.480 -1.002 20 0 FAADLO CC[C@H](C)OCC(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001192281578 792065853 /nfs/dbraw/zinc/06/58/53/792065853.db2.gz VLNZALSOXKYNIB-BFHYXJOUSA-N 1 2 363.480 -1.002 20 0 FAADLO CC[C@@H](C)OCC(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001192281579 792066131 /nfs/dbraw/zinc/06/61/31/792066131.db2.gz VLNZALSOXKYNIB-MGPQQGTHSA-N 1 2 363.480 -1.002 20 0 FAADLO CC[C@@H](C)OCC(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001192281579 792066119 /nfs/dbraw/zinc/06/61/19/792066119.db2.gz VLNZALSOXKYNIB-MGPQQGTHSA-N 1 2 363.480 -1.002 20 0 FAADLO CC[C@@H](C)OCC(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001192281684 792065754 /nfs/dbraw/zinc/06/57/54/792065754.db2.gz XUNFYDLSVKMXOP-JHJVBQTASA-N 1 2 351.469 -1.146 20 0 FAADLO CC[C@@H](C)OCC(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001192281684 792065742 /nfs/dbraw/zinc/06/57/42/792065742.db2.gz XUNFYDLSVKMXOP-JHJVBQTASA-N 1 2 351.469 -1.146 20 0 FAADLO CC[C@H](C)OCC(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001192281787 792065377 /nfs/dbraw/zinc/06/53/77/792065377.db2.gz XUNFYDLSVKMXOP-YNEHKIRRSA-N 1 2 351.469 -1.146 20 0 FAADLO CC[C@H](C)OCC(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001192281787 792065360 /nfs/dbraw/zinc/06/53/60/792065360.db2.gz XUNFYDLSVKMXOP-YNEHKIRRSA-N 1 2 351.469 -1.146 20 0 FAADLO C[C@@](O)(CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1O)C1CC1 ZINC001192298578 792065716 /nfs/dbraw/zinc/06/57/16/792065716.db2.gz TYGBNDORIKSBLD-CKEIUWERSA-N 1 2 355.435 -1.442 20 0 FAADLO C[C@@](O)(CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1O)C1CC1 ZINC001192298578 792065704 /nfs/dbraw/zinc/06/57/04/792065704.db2.gz TYGBNDORIKSBLD-CKEIUWERSA-N 1 2 355.435 -1.442 20 0 FAADLO C[C@](O)(CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1O)C1CC1 ZINC001192298580 792065402 /nfs/dbraw/zinc/06/54/02/792065402.db2.gz TYGBNDORIKSBLD-CPUCHLNUSA-N 1 2 355.435 -1.442 20 0 FAADLO C[C@](O)(CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1O)C1CC1 ZINC001192298580 792065395 /nfs/dbraw/zinc/06/53/95/792065395.db2.gz TYGBNDORIKSBLD-CPUCHLNUSA-N 1 2 355.435 -1.442 20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@](C)(O)C2CC2)C1 ZINC001192306400 792068681 /nfs/dbraw/zinc/06/86/81/792068681.db2.gz ILRMGMTXMWNXEV-NFAWXSAZSA-N 1 2 363.480 -1.362 20 0 FAADLO CCS(=O)(=O)NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@](C)(O)C2CC2)C1 ZINC001192306400 792068670 /nfs/dbraw/zinc/06/86/70/792068670.db2.gz ILRMGMTXMWNXEV-NFAWXSAZSA-N 1 2 363.480 -1.362 20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@](C)(O)C2CC2)C1 ZINC001192306401 792068341 /nfs/dbraw/zinc/06/83/41/792068341.db2.gz ILRMGMTXMWNXEV-UMVBOHGHSA-N 1 2 363.480 -1.362 20 0 FAADLO CCS(=O)(=O)NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@](C)(O)C2CC2)C1 ZINC001192306401 792068329 /nfs/dbraw/zinc/06/83/29/792068329.db2.gz ILRMGMTXMWNXEV-UMVBOHGHSA-N 1 2 363.480 -1.362 20 0 FAADLO CN(CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@](C)(O)C2CC2)C1)S(C)(=O)=O ZINC001192306675 792065569 /nfs/dbraw/zinc/06/55/69/792065569.db2.gz NQGMFMIXPFLFBN-NFAWXSAZSA-N 1 2 363.480 -1.410 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@](C)(O)C2CC2)C1)S(C)(=O)=O ZINC001192306675 792065561 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CN(CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CN=NC2=O)C1)S(C)(=O)=O ZINC001192321343 792066985 /nfs/dbraw/zinc/06/69/85/792066985.db2.gz WUYFFWHBLNKABY-NXEZZACHSA-N 1 2 362.412 -2.964 20 0 FAADLO C[C@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001192321344 792067506 /nfs/dbraw/zinc/06/75/06/792067506.db2.gz WVJACGMYHFNVNB-GMTAPVOTSA-N 1 2 354.411 -1.552 20 0 FAADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001192321344 792067497 /nfs/dbraw/zinc/06/74/97/792067497.db2.gz WVJACGMYHFNVNB-GMTAPVOTSA-N 1 2 354.411 -1.552 20 0 FAADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001192321345 792067398 /nfs/dbraw/zinc/06/73/98/792067398.db2.gz WVJACGMYHFNVNB-HBNTYKKESA-N 1 2 354.411 -1.552 20 0 FAADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001192321345 792067387 /nfs/dbraw/zinc/06/73/87/792067387.db2.gz WVJACGMYHFNVNB-HBNTYKKESA-N 1 2 354.411 -1.552 20 0 FAADLO 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ZINC001192443906 792081141 /nfs/dbraw/zinc/08/11/41/792081141.db2.gz FMTUBXCGDBMNAR-JHJVBQTASA-N 1 2 358.439 -1.785 20 0 FAADLO CCOCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(=O)NC)C1 ZINC001192443908 792081859 /nfs/dbraw/zinc/08/18/59/792081859.db2.gz FMTUBXCGDBMNAR-YNEHKIRRSA-N 1 2 358.439 -1.785 20 0 FAADLO CCOCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(=O)NC)C1 ZINC001192443908 792081848 /nfs/dbraw/zinc/08/18/48/792081848.db2.gz FMTUBXCGDBMNAR-YNEHKIRRSA-N 1 2 358.439 -1.785 20 0 FAADLO CC(=O)N1CC(C(=O)N[C@@H]2C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]2O)C1 ZINC001192443931 792081953 /nfs/dbraw/zinc/08/19/53/792081953.db2.gz FVQXKEZUJOHFBI-CHWSQXEVSA-N 1 2 362.452 -2.483 20 0 FAADLO CC(=O)N1CC(C(=O)N[C@@H]2C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]2O)C1 ZINC001192443931 792081941 /nfs/dbraw/zinc/08/19/41/792081941.db2.gz FVQXKEZUJOHFBI-CHWSQXEVSA-N 1 2 362.452 -2.483 20 0 FAADLO CC(=O)N1CC(C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)CC3CC3)C[C@H]2O)C1 ZINC001192444493 792081607 /nfs/dbraw/zinc/08/16/07/792081607.db2.gz LBTXQSIBFHIIGD-HUUCEWRRSA-N 1 2 352.435 -1.506 20 0 FAADLO CC(=O)N1CC(C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)CC3CC3)C[C@H]2O)C1 ZINC001192444493 792081594 /nfs/dbraw/zinc/08/15/94/792081594.db2.gz LBTXQSIBFHIIGD-HUUCEWRRSA-N 1 2 352.435 -1.506 20 0 FAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1O ZINC001192444509 792081018 /nfs/dbraw/zinc/08/10/18/792081018.db2.gz LNERPAOYUJQLNM-FBIMIBRVSA-N 1 2 355.395 -2.340 20 0 FAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1O ZINC001192444509 792081009 /nfs/dbraw/zinc/08/10/09/792081009.db2.gz LNERPAOYUJQLNM-FBIMIBRVSA-N 1 2 355.395 -2.340 20 0 FAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1O ZINC001192444510 792081314 /nfs/dbraw/zinc/08/13/14/792081314.db2.gz LNERPAOYUJQLNM-JMJZKYOTSA-N 1 2 355.395 -2.340 20 0 FAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1O ZINC001192444510 792081305 /nfs/dbraw/zinc/08/13/05/792081305.db2.gz LNERPAOYUJQLNM-JMJZKYOTSA-N 1 2 355.395 -2.340 20 0 FAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1O ZINC001192444944 792081718 /nfs/dbraw/zinc/08/17/18/792081718.db2.gz PGLQLCPKCUUFIL-GHMZBOCLSA-N 1 2 353.379 -3.119 20 0 FAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1O ZINC001192444944 792081706 /nfs/dbraw/zinc/08/17/06/792081706.db2.gz PGLQLCPKCUUFIL-GHMZBOCLSA-N 1 2 353.379 -3.119 20 0 FAADLO CC(=O)N1CC(C(=O)N[C@@H]2C[N@@H+](CCNC(=O)NC(C)C)C[C@H]2O)C1 ZINC001192445327 792081767 /nfs/dbraw/zinc/08/17/67/792081767.db2.gz UKYPWBWROKMVAV-ZIAGYGMSSA-N 1 2 355.439 -1.666 20 0 FAADLO CC(=O)N1CC(C(=O)N[C@@H]2C[N@H+](CCNC(=O)NC(C)C)C[C@H]2O)C1 ZINC001192445327 792081753 /nfs/dbraw/zinc/08/17/53/792081753.db2.gz UKYPWBWROKMVAV-ZIAGYGMSSA-N 1 2 355.439 -1.666 20 0 FAADLO CN(CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2OCCCO2)C1)S(C)(=O)=O ZINC001192445506 792081984 /nfs/dbraw/zinc/08/19/84/792081984.db2.gz ZBHKOPMUVBATBM-VXGBXAGGSA-N 1 2 365.452 -1.808 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2OCCCO2)C1)S(C)(=O)=O ZINC001192445506 792081973 /nfs/dbraw/zinc/08/19/73/792081973.db2.gz ZBHKOPMUVBATBM-VXGBXAGGSA-N 1 2 365.452 -1.808 20 0 FAADLO CCS(=O)(=O)CCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(=O)NC)C1 ZINC001192453898 792082954 /nfs/dbraw/zinc/08/29/54/792082954.db2.gz VGKKLFVJVAEVIN-CHWSQXEVSA-N 1 2 363.480 -1.111 20 0 FAADLO CCS(=O)(=O)CCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(=O)NC)C1 ZINC001192453898 792082944 /nfs/dbraw/zinc/08/29/44/792082944.db2.gz VGKKLFVJVAEVIN-CHWSQXEVSA-N 1 2 363.480 -1.111 20 0 FAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCC(C)CC2)C[C@H]1O ZINC001192462261 792082712 /nfs/dbraw/zinc/08/27/12/792082712.db2.gz CECTVQUXNDPYOB-BFHYXJOUSA-N 1 2 354.451 -1.069 20 0 FAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCC(C)CC2)C[C@H]1O ZINC001192462261 792082704 /nfs/dbraw/zinc/08/27/04/792082704.db2.gz CECTVQUXNDPYOB-BFHYXJOUSA-N 1 2 354.451 -1.069 20 0 FAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCC(C)CC2)C[C@H]1O ZINC001192462264 792082193 /nfs/dbraw/zinc/08/21/93/792082193.db2.gz CECTVQUXNDPYOB-MGPQQGTHSA-N 1 2 354.451 -1.069 20 0 FAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCC(C)CC2)C[C@H]1O ZINC001192462264 792082182 /nfs/dbraw/zinc/08/21/82/792082182.db2.gz CECTVQUXNDPYOB-MGPQQGTHSA-N 1 2 354.451 -1.069 20 0 FAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC(C)C)C2CC2)C[C@H]1O ZINC001192462527 792082371 /nfs/dbraw/zinc/08/23/71/792082371.db2.gz GWLKYDWPSMXRNW-ZIAGYGMSSA-N 1 2 354.451 -1.069 20 0 FAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(CC(C)C)C2CC2)C[C@H]1O ZINC001192462527 792082363 /nfs/dbraw/zinc/08/23/63/792082363.db2.gz GWLKYDWPSMXRNW-ZIAGYGMSSA-N 1 2 354.451 -1.069 20 0 FAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@H]1O ZINC001192463756 792083693 /nfs/dbraw/zinc/08/36/93/792083693.db2.gz ZOEPKBDMYGUJKB-YNEHKIRRSA-N 1 2 355.439 -1.537 20 0 FAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@H]1O ZINC001192463756 792083687 /nfs/dbraw/zinc/08/36/87/792083687.db2.gz ZOEPKBDMYGUJKB-YNEHKIRRSA-N 1 2 355.439 -1.537 20 0 FAADLO CC(C)N(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(N)=O)C1)C(C)C ZINC001192467278 792076541 /nfs/dbraw/zinc/07/65/41/792076541.db2.gz GSBKVHMJPWSEBR-YNEHKIRRSA-N 1 2 357.455 -1.150 20 0 FAADLO CC(C)N(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(N)=O)C1)C(C)C ZINC001192467278 792076535 /nfs/dbraw/zinc/07/65/35/792076535.db2.gz GSBKVHMJPWSEBR-YNEHKIRRSA-N 1 2 357.455 -1.150 20 0 FAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001192467656 792077015 /nfs/dbraw/zinc/07/70/15/792077015.db2.gz ILFSNXPGVLTDGN-HBNTYKKESA-N 1 2 363.440 -2.760 20 0 FAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001192467656 792077005 /nfs/dbraw/zinc/07/70/05/792077005.db2.gz ILFSNXPGVLTDGN-HBNTYKKESA-N 1 2 363.440 -2.760 20 0 FAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@H]1O ZINC001192467971 792077145 /nfs/dbraw/zinc/07/71/45/792077145.db2.gz OYRQGUCCILRAPS-YNEHKIRRSA-N 1 2 355.439 -1.393 20 0 FAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@H]1O ZINC001192467971 792077135 /nfs/dbraw/zinc/07/71/35/792077135.db2.gz OYRQGUCCILRAPS-YNEHKIRRSA-N 1 2 355.439 -1.393 20 0 FAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1O ZINC001192468019 792078450 /nfs/dbraw/zinc/07/84/50/792078450.db2.gz PTXOMVDWWVUXKH-HBNTYKKESA-N 1 2 358.443 -1.698 20 0 FAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1O ZINC001192468019 792078441 /nfs/dbraw/zinc/07/84/41/792078441.db2.gz PTXOMVDWWVUXKH-HBNTYKKESA-N 1 2 358.443 -1.698 20 0 FAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001192468076 792078392 /nfs/dbraw/zinc/07/83/92/792078392.db2.gz ROYCSHOCPRVKGV-IVZWLZJFSA-N 1 2 351.429 -2.904 20 0 FAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001192468076 792078385 /nfs/dbraw/zinc/07/83/85/792078385.db2.gz ROYCSHOCPRVKGV-IVZWLZJFSA-N 1 2 351.429 -2.904 20 0 FAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)C[C@H]1O ZINC001192468170 792078324 /nfs/dbraw/zinc/07/83/24/792078324.db2.gz TYKKHJKWWIYKSC-CYZMBNFOSA-N 1 2 350.423 -1.134 20 0 FAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)C[C@H]1O ZINC001192468170 792078311 /nfs/dbraw/zinc/07/83/11/792078311.db2.gz TYKKHJKWWIYKSC-CYZMBNFOSA-N 1 2 350.423 -1.134 20 0 FAADLO CCCN(CCC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001192468257 792078013 /nfs/dbraw/zinc/07/80/13/792078013.db2.gz WLDRJEXJNLFFMR-YNEHKIRRSA-N 1 2 357.455 -1.147 20 0 FAADLO CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001192468257 792077998 /nfs/dbraw/zinc/07/79/98/792077998.db2.gz WLDRJEXJNLFFMR-YNEHKIRRSA-N 1 2 357.455 -1.147 20 0 FAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1O ZINC001192468299 792077981 /nfs/dbraw/zinc/07/79/81/792077981.db2.gz XCURGBHRTLDJKZ-MVWJERBFSA-N 1 2 362.452 -1.971 20 0 FAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1O ZINC001192468299 792077967 /nfs/dbraw/zinc/07/79/67/792077967.db2.gz XCURGBHRTLDJKZ-MVWJERBFSA-N 1 2 362.452 -1.971 20 0 FAADLO Cc1csc(=O)n1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001192468301 792077593 /nfs/dbraw/zinc/07/75/93/792077593.db2.gz XDYJZLSJOARTPD-HBNTYKKESA-N 1 2 357.436 -1.564 20 0 FAADLO Cc1csc(=O)n1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001192468301 792077581 /nfs/dbraw/zinc/07/75/81/792077581.db2.gz XDYJZLSJOARTPD-HBNTYKKESA-N 1 2 357.436 -1.564 20 0 FAADLO CN(CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)o2)C1)S(C)(=O)=O ZINC001192468484 792077718 /nfs/dbraw/zinc/07/77/18/792077718.db2.gz ZOBKLXLGZLRUCG-NXEZZACHSA-N 1 2 362.408 -2.355 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)o2)C1)S(C)(=O)=O ZINC001192468484 792077707 /nfs/dbraw/zinc/07/77/07/792077707.db2.gz ZOBKLXLGZLRUCG-NXEZZACHSA-N 1 2 362.408 -2.355 20 0 FAADLO O=C(CCn1ccnn1)N[C@@H]1C[N@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001192476338 792077935 /nfs/dbraw/zinc/07/79/35/792077935.db2.gz GGQLXIDELKOORK-BFHYXJOUSA-N 1 2 371.463 -1.346 20 0 FAADLO O=C(CCn1ccnn1)N[C@@H]1C[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001192476338 792077921 /nfs/dbraw/zinc/07/79/21/792077921.db2.gz GGQLXIDELKOORK-BFHYXJOUSA-N 1 2 371.463 -1.346 20 0 FAADLO O=C(CCn1ccnn1)N[C@@H]1C[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001192476339 792078212 /nfs/dbraw/zinc/07/82/12/792078212.db2.gz GGQLXIDELKOORK-MGPQQGTHSA-N 1 2 371.463 -1.346 20 0 FAADLO O=C(CCn1ccnn1)N[C@@H]1C[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001192476339 792078202 /nfs/dbraw/zinc/07/82/02/792078202.db2.gz GGQLXIDELKOORK-MGPQQGTHSA-N 1 2 371.463 -1.346 20 0 FAADLO 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C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)C1 ZINC001192519334 792084217 /nfs/dbraw/zinc/08/42/17/792084217.db2.gz BZMUIWQVPOKANJ-CHWSQXEVSA-N 1 2 366.443 -1.118 20 0 FAADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)C1 ZINC001192519335 792083399 /nfs/dbraw/zinc/08/33/99/792083399.db2.gz BZMUIWQVPOKANJ-STQMWFEESA-N 1 2 366.443 -1.118 20 0 FAADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)C1 ZINC001192519335 792083389 /nfs/dbraw/zinc/08/33/89/792083389.db2.gz BZMUIWQVPOKANJ-STQMWFEESA-N 1 2 366.443 -1.118 20 0 FAADLO COC1(CC(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]2O)CCC1 ZINC001192538876 792087245 /nfs/dbraw/zinc/08/72/45/792087245.db2.gz CAIPZQKVJQWDBH-ZIAGYGMSSA-N 1 2 355.435 -1.034 20 0 FAADLO COC1(CC(=O)N[C@@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]2O)CCC1 ZINC001192538876 792087234 /nfs/dbraw/zinc/08/72/34/792087234.db2.gz CAIPZQKVJQWDBH-ZIAGYGMSSA-N 1 2 355.435 -1.034 20 0 FAADLO COC1(CC(=O)N[C@@H]2C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]2O)CCC1 ZINC001192539967 792088025 /nfs/dbraw/zinc/08/80/25/792088025.db2.gz LATHMYJAVZIAEA-CHWSQXEVSA-N 1 2 363.480 -1.002 20 0 FAADLO COC1(CC(=O)N[C@@H]2C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]2O)CCC1 ZINC001192539967 792088016 /nfs/dbraw/zinc/08/80/16/792088016.db2.gz LATHMYJAVZIAEA-CHWSQXEVSA-N 1 2 363.480 -1.002 20 0 FAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ccnn2)C1 ZINC001192546122 792088091 /nfs/dbraw/zinc/08/80/91/792088091.db2.gz CONOCWRUZKVAIF-GMTAPVOTSA-N 1 2 353.383 -2.326 20 0 FAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ccnn2)C1 ZINC001192546122 792088078 /nfs/dbraw/zinc/08/80/78/792088078.db2.gz CONOCWRUZKVAIF-GMTAPVOTSA-N 1 2 353.383 -2.326 20 0 FAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ccnn2)C1 ZINC001192546131 792087187 /nfs/dbraw/zinc/08/71/87/792087187.db2.gz CONOCWRUZKVAIF-HBNTYKKESA-N 1 2 353.383 -2.326 20 0 FAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ccnn2)C1 ZINC001192546131 792087175 /nfs/dbraw/zinc/08/71/75/792087175.db2.gz CONOCWRUZKVAIF-HBNTYKKESA-N 1 2 353.383 -2.326 20 0 FAADLO O=C(CCn1ccnn1)N[C@@H]1C[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1O ZINC001192546169 792087311 /nfs/dbraw/zinc/08/73/11/792087311.db2.gz DEQDHUBGBCKTGI-BFHYXJOUSA-N 1 2 371.463 -1.346 20 0 FAADLO O=C(CCn1ccnn1)N[C@@H]1C[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1O ZINC001192546169 792087300 /nfs/dbraw/zinc/08/73/00/792087300.db2.gz DEQDHUBGBCKTGI-BFHYXJOUSA-N 1 2 371.463 -1.346 20 0 FAADLO O=C(CCn1ccnn1)N[C@@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1O ZINC001192546171 792087635 /nfs/dbraw/zinc/08/76/35/792087635.db2.gz DEQDHUBGBCKTGI-MGPQQGTHSA-N 1 2 371.463 -1.346 20 0 FAADLO O=C(CCn1ccnn1)N[C@@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1O ZINC001192546171 792087622 /nfs/dbraw/zinc/08/76/22/792087622.db2.gz DEQDHUBGBCKTGI-MGPQQGTHSA-N 1 2 371.463 -1.346 20 0 FAADLO O=C(CCn1ccnn1)N[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001192546208 792087357 /nfs/dbraw/zinc/08/73/57/792087357.db2.gz DMPJXELWDHSUPA-JHJVBQTASA-N 1 2 357.436 -1.736 20 0 FAADLO O=C(CCn1ccnn1)N[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001192546208 792087345 /nfs/dbraw/zinc/08/73/45/792087345.db2.gz DMPJXELWDHSUPA-JHJVBQTASA-N 1 2 357.436 -1.736 20 0 FAADLO O=C(CCn1ccnn1)N[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001192546209 792087496 /nfs/dbraw/zinc/08/74/96/792087496.db2.gz DMPJXELWDHSUPA-YNEHKIRRSA-N 1 2 357.436 -1.736 20 0 FAADLO O=C(CCn1ccnn1)N[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001192546209 792087484 /nfs/dbraw/zinc/08/74/84/792087484.db2.gz DMPJXELWDHSUPA-YNEHKIRRSA-N 1 2 357.436 -1.736 20 0 FAADLO CC(C)N1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CCn3ccnn3)C2)C1=O ZINC001192546466 792085130 /nfs/dbraw/zinc/08/51/30/792085130.db2.gz GXPLRIJKJOOYEU-HZSPNIEDSA-N 1 2 350.423 -1.161 20 0 FAADLO CC(C)N1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CCn3ccnn3)C2)C1=O ZINC001192546466 792085118 /nfs/dbraw/zinc/08/51/18/792085118.db2.gz GXPLRIJKJOOYEU-HZSPNIEDSA-N 1 2 350.423 -1.161 20 0 FAADLO CC(C)N1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CCn3ccnn3)C2)C1=O ZINC001192546468 792085169 /nfs/dbraw/zinc/08/51/69/792085169.db2.gz GXPLRIJKJOOYEU-MGPQQGTHSA-N 1 2 350.423 -1.161 20 0 FAADLO CC(C)N1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CCn3ccnn3)C2)C1=O ZINC001192546468 792085158 /nfs/dbraw/zinc/08/51/58/792085158.db2.gz GXPLRIJKJOOYEU-MGPQQGTHSA-N 1 2 350.423 -1.161 20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ccnn2)C1 ZINC001192546508 792085094 /nfs/dbraw/zinc/08/50/94/792085094.db2.gz IBUUIXVXVVZNPZ-VXGBXAGGSA-N 1 2 360.440 -2.231 20 0 FAADLO CCS(=O)(=O)NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ccnn2)C1 ZINC001192546508 792085082 /nfs/dbraw/zinc/08/50/82/792085082.db2.gz IBUUIXVXVVZNPZ-VXGBXAGGSA-N 1 2 360.440 -2.231 20 0 FAADLO CCN(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ccnn2)C1)C1CC1 ZINC001192546984 792084579 /nfs/dbraw/zinc/08/45/79/792084579.db2.gz KTOORJWNQOUTRG-ZIAGYGMSSA-N 1 2 350.423 -1.160 20 0 FAADLO CCN(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ccnn2)C1)C1CC1 ZINC001192546984 792084569 /nfs/dbraw/zinc/08/45/69/792084569.db2.gz KTOORJWNQOUTRG-ZIAGYGMSSA-N 1 2 350.423 -1.160 20 0 FAADLO C[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ccnn2)C1)CS(C)(=O)=O ZINC001192548137 792084649 /nfs/dbraw/zinc/08/46/49/792084649.db2.gz YLNXFGRQKSFJAL-JHJVBQTASA-N 1 2 359.452 -1.490 20 0 FAADLO C[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ccnn2)C1)CS(C)(=O)=O ZINC001192548137 792084638 /nfs/dbraw/zinc/08/46/38/792084638.db2.gz YLNXFGRQKSFJAL-JHJVBQTASA-N 1 2 359.452 -1.490 20 0 FAADLO C[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ccnn2)C1)CS(C)(=O)=O ZINC001192548147 792085305 /nfs/dbraw/zinc/08/53/05/792085305.db2.gz YLNXFGRQKSFJAL-YNEHKIRRSA-N 1 2 359.452 -1.490 20 0 FAADLO C[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ccnn2)C1)CS(C)(=O)=O ZINC001192548147 792085295 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COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001193005719 792111211 /nfs/dbraw/zinc/11/12/11/792111211.db2.gz WSZWLNPAZFDNCZ-QJPTWQEYSA-N 1 2 355.399 -2.624 20 0 FAADLO CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001193005824 792111447 /nfs/dbraw/zinc/11/14/47/792111447.db2.gz ZNHMDALPFDUUHA-IJLUTSLNSA-N 1 2 353.427 -1.472 20 0 FAADLO CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001193005824 792111440 /nfs/dbraw/zinc/11/14/40/792111440.db2.gz ZNHMDALPFDUUHA-IJLUTSLNSA-N 1 2 353.427 -1.472 20 0 FAADLO CCC(C)(C)NC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001193005825 792111478 /nfs/dbraw/zinc/11/14/78/792111478.db2.gz ZNHMDALPFDUUHA-QJPTWQEYSA-N 1 2 353.427 -1.472 20 0 FAADLO CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001193005825 792111473 /nfs/dbraw/zinc/11/14/73/792111473.db2.gz ZNHMDALPFDUUHA-QJPTWQEYSA-N 1 2 353.427 -1.472 20 0 FAADLO 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ZINC001193297760 792127267 /nfs/dbraw/zinc/12/72/67/792127267.db2.gz YLBCAMLEFBZBPX-VXGBXAGGSA-N 1 2 353.427 -1.463 20 0 FAADLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]2O)c(C)nn1 ZINC001193303878 792127705 /nfs/dbraw/zinc/12/77/05/792127705.db2.gz FHSZUNOQKSLLRO-ZIAGYGMSSA-N 1 2 371.463 -1.240 20 0 FAADLO Cc1cc(C(=O)N[C@@H]2C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]2O)c(C)nn1 ZINC001193303878 792127696 /nfs/dbraw/zinc/12/76/96/792127696.db2.gz FHSZUNOQKSLLRO-ZIAGYGMSSA-N 1 2 371.463 -1.240 20 0 FAADLO COCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001193327513 792128211 /nfs/dbraw/zinc/12/82/11/792128211.db2.gz BVCJNEFYGXFYTP-JHJVBQTASA-N 1 2 354.411 -2.019 20 0 FAADLO COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001193327513 792128203 /nfs/dbraw/zinc/12/82/03/792128203.db2.gz BVCJNEFYGXFYTP-JHJVBQTASA-N 1 2 354.411 -2.019 20 0 FAADLO COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001193327514 792128007 /nfs/dbraw/zinc/12/80/07/792128007.db2.gz BVCJNEFYGXFYTP-YNEHKIRRSA-N 1 2 354.411 -2.019 20 0 FAADLO COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001193327514 792127999 /nfs/dbraw/zinc/12/79/99/792127999.db2.gz BVCJNEFYGXFYTP-YNEHKIRRSA-N 1 2 354.411 -2.019 20 0 FAADLO CC(C)CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001193327910 792128188 /nfs/dbraw/zinc/12/81/88/792128188.db2.gz VWBLUZNUDNWQBL-BFHYXJOUSA-N 1 2 352.439 -1.010 20 0 FAADLO CC(C)CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001193327910 792128181 /nfs/dbraw/zinc/12/81/81/792128181.db2.gz VWBLUZNUDNWQBL-BFHYXJOUSA-N 1 2 352.439 -1.010 20 0 FAADLO CC(C)CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001193327911 792128379 /nfs/dbraw/zinc/12/83/79/792128379.db2.gz VWBLUZNUDNWQBL-MGPQQGTHSA-N 1 2 352.439 -1.010 20 0 FAADLO CC(C)CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001193327911 792128373 /nfs/dbraw/zinc/12/83/73/792128373.db2.gz VWBLUZNUDNWQBL-MGPQQGTHSA-N 1 2 352.439 -1.010 20 0 FAADLO CN(CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ccncn2)C1)S(C)(=O)=O ZINC001193384444 792129099 /nfs/dbraw/zinc/12/90/99/792129099.db2.gz LNCPNUQETZJSFC-ZIAGYGMSSA-N 1 2 371.463 -1.538 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ccncn2)C1)S(C)(=O)=O ZINC001193384444 792129096 /nfs/dbraw/zinc/12/90/96/792129096.db2.gz LNCPNUQETZJSFC-ZIAGYGMSSA-N 1 2 371.463 -1.538 20 0 FAADLO CS(=O)(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ccncn2)C1 ZINC001193390469 792129329 /nfs/dbraw/zinc/12/93/29/792129329.db2.gz AEPMMSSDBWMDDJ-CHWSQXEVSA-N 1 2 357.436 -1.880 20 0 FAADLO CS(=O)(=O)NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ccncn2)C1 ZINC001193390469 792129322 /nfs/dbraw/zinc/12/93/22/792129322.db2.gz AEPMMSSDBWMDDJ-CHWSQXEVSA-N 1 2 357.436 -1.880 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ccncn2)C1 ZINC001193391355 792128735 /nfs/dbraw/zinc/12/87/35/792128735.db2.gz NINVXLGJSIIZSB-MVWJERBFSA-N 1 2 350.379 -1.846 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ccncn2)C1 ZINC001193391355 792128731 /nfs/dbraw/zinc/12/87/31/792128731.db2.gz NINVXLGJSIIZSB-MVWJERBFSA-N 1 2 350.379 -1.846 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ccncn2)C1 ZINC001193391357 792129071 /nfs/dbraw/zinc/12/90/71/792129071.db2.gz NINVXLGJSIIZSB-YUSALJHKSA-N 1 2 350.379 -1.846 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ccncn2)C1 ZINC001193391357 792129062 /nfs/dbraw/zinc/12/90/62/792129062.db2.gz NINVXLGJSIIZSB-YUSALJHKSA-N 1 2 350.379 -1.846 20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ccncn2)C1 ZINC001193391864 792129357 /nfs/dbraw/zinc/12/93/57/792129357.db2.gz UUPFDPSRVFBPBD-ZIAGYGMSSA-N 1 2 371.463 -1.490 20 0 FAADLO CCS(=O)(=O)NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ccncn2)C1 ZINC001193391864 792129349 /nfs/dbraw/zinc/12/93/49/792129349.db2.gz UUPFDPSRVFBPBD-ZIAGYGMSSA-N 1 2 371.463 -1.490 20 0 FAADLO Cn1nccc1CCC(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001193407627 792128826 /nfs/dbraw/zinc/12/88/26/792128826.db2.gz LKTMSQFFEIURMA-CHWSQXEVSA-N 1 2 359.452 -1.937 20 0 FAADLO Cn1nccc1CCC(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001193407627 792128821 /nfs/dbraw/zinc/12/88/21/792128821.db2.gz LKTMSQFFEIURMA-CHWSQXEVSA-N 1 2 359.452 -1.937 20 0 FAADLO CC(C)C(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1O ZINC001193407764 792128931 /nfs/dbraw/zinc/12/89/31/792128931.db2.gz SBZPUVIODHVMLL-ZIAGYGMSSA-N 1 2 354.451 -1.117 20 0 FAADLO CC(C)C(=O)N(C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1O ZINC001193407764 792128925 /nfs/dbraw/zinc/12/89/25/792128925.db2.gz SBZPUVIODHVMLL-ZIAGYGMSSA-N 1 2 354.451 -1.117 20 0 FAADLO CC(C)C(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001193407796 792129203 /nfs/dbraw/zinc/12/92/03/792129203.db2.gz UCMGAUVMLBLUMX-ZIAGYGMSSA-N 1 2 354.451 -1.116 20 0 FAADLO CC(C)C(=O)N(C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001193407796 792129195 /nfs/dbraw/zinc/12/91/95/792129195.db2.gz UCMGAUVMLBLUMX-ZIAGYGMSSA-N 1 2 354.451 -1.116 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ccnn2C)C1 ZINC001193407847 792128719 /nfs/dbraw/zinc/12/87/19/792128719.db2.gz WBENJUVXLCMXOA-MVWJERBFSA-N 1 2 352.395 -1.903 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ccnn2C)C1 ZINC001193407847 792128712 /nfs/dbraw/zinc/12/87/12/792128712.db2.gz WBENJUVXLCMXOA-MVWJERBFSA-N 1 2 352.395 -1.903 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ccnn2C)C1 ZINC001193407848 792128796 /nfs/dbraw/zinc/12/87/96/792128796.db2.gz WBENJUVXLCMXOA-YUSALJHKSA-N 1 2 352.395 -1.903 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ccnn2C)C1 ZINC001193407848 792128784 /nfs/dbraw/zinc/12/87/84/792128784.db2.gz WBENJUVXLCMXOA-YUSALJHKSA-N 1 2 352.395 -1.903 20 0 FAADLO Cn1ccc(CCC(=O)N[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]2O)n1 ZINC001193415592 792133533 /nfs/dbraw/zinc/13/35/33/792133533.db2.gz HYFNGLGNNBUQMS-CHWSQXEVSA-N 1 2 359.452 -1.937 20 0 FAADLO Cn1ccc(CCC(=O)N[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]2O)n1 ZINC001193415592 792133526 /nfs/dbraw/zinc/13/35/26/792133526.db2.gz HYFNGLGNNBUQMS-CHWSQXEVSA-N 1 2 359.452 -1.937 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ccn(C)n2)C1 ZINC001193415790 792133295 /nfs/dbraw/zinc/13/32/95/792133295.db2.gz NJKNXBABQFRBKY-MVWJERBFSA-N 1 2 352.395 -1.903 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ccn(C)n2)C1 ZINC001193415790 792133290 /nfs/dbraw/zinc/13/32/90/792133290.db2.gz NJKNXBABQFRBKY-MVWJERBFSA-N 1 2 352.395 -1.903 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ccn(C)n2)C1 ZINC001193415791 792133356 /nfs/dbraw/zinc/13/33/56/792133356.db2.gz NJKNXBABQFRBKY-YUSALJHKSA-N 1 2 352.395 -1.903 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ccn(C)n2)C1 ZINC001193415791 792133352 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COCC1(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]2O)CCOCC1 ZINC001193568486 792151927 /nfs/dbraw/zinc/15/19/27/792151927.db2.gz CCAJQYXHLWWCRR-HZSPNIEDSA-N 1 2 355.435 -1.131 20 0 FAADLO COCC1(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]2O)CCOCC1 ZINC001193568486 792151923 /nfs/dbraw/zinc/15/19/23/792151923.db2.gz CCAJQYXHLWWCRR-HZSPNIEDSA-N 1 2 355.435 -1.131 20 0 FAADLO COCC1(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]2O)CCOCC1 ZINC001193568488 792151738 /nfs/dbraw/zinc/15/17/38/792151738.db2.gz CCAJQYXHLWWCRR-MGPQQGTHSA-N 1 2 355.435 -1.131 20 0 FAADLO COCC1(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]2O)CCOCC1 ZINC001193568488 792151733 /nfs/dbraw/zinc/15/17/33/792151733.db2.gz CCAJQYXHLWWCRR-MGPQQGTHSA-N 1 2 355.435 -1.131 20 0 FAADLO COCC1(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2O)CCOCC1 ZINC001193568747 792151826 /nfs/dbraw/zinc/15/18/26/792151826.db2.gz JHCFDWRNBPOOGN-ZIAGYGMSSA-N 1 2 355.435 -1.177 20 0 FAADLO COCC1(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2O)CCOCC1 ZINC001193568747 792151821 /nfs/dbraw/zinc/15/18/21/792151821.db2.gz JHCFDWRNBPOOGN-ZIAGYGMSSA-N 1 2 355.435 -1.177 20 0 FAADLO CN(CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3c2CCC3)C1)S(C)(=O)=O ZINC001193577449 792151437 /nfs/dbraw/zinc/15/14/37/792151437.db2.gz SUUWYBMBJYUVKY-TZMCWYRMSA-N 1 2 371.463 -1.504 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3c2CCC3)C1)S(C)(=O)=O ZINC001193577449 792151433 /nfs/dbraw/zinc/15/14/33/792151433.db2.gz SUUWYBMBJYUVKY-TZMCWYRMSA-N 1 2 371.463 -1.504 20 0 FAADLO COCC1(C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]2O)CCOCC1 ZINC001193577473 792151997 /nfs/dbraw/zinc/15/19/97/792151997.db2.gz UOKNXMRYDDIOAV-HZSPNIEDSA-N 1 2 355.435 -1.178 20 0 FAADLO COCC1(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]2O)CCOCC1 ZINC001193577473 792151992 /nfs/dbraw/zinc/15/19/92/792151992.db2.gz UOKNXMRYDDIOAV-HZSPNIEDSA-N 1 2 355.435 -1.178 20 0 FAADLO COCC1(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]2O)CCOCC1 ZINC001193577475 792151669 /nfs/dbraw/zinc/15/16/69/792151669.db2.gz UOKNXMRYDDIOAV-MGPQQGTHSA-N 1 2 355.435 -1.178 20 0 FAADLO COCC1(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]2O)CCOCC1 ZINC001193577475 792151666 /nfs/dbraw/zinc/15/16/66/792151666.db2.gz UOKNXMRYDDIOAV-MGPQQGTHSA-N 1 2 355.435 -1.178 20 0 FAADLO CN(CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(F)CCOCC2)C1)S(C)(=O)=O ZINC001193594885 792152695 /nfs/dbraw/zinc/15/26/95/792152695.db2.gz HSEGXHVQMBFMBH-VXGBXAGGSA-N 1 2 367.443 -1.442 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(F)CCOCC2)C1)S(C)(=O)=O ZINC001193594885 792152688 /nfs/dbraw/zinc/15/26/88/792152688.db2.gz HSEGXHVQMBFMBH-VXGBXAGGSA-N 1 2 367.443 -1.442 20 0 FAADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CN(CC(=O)Nc2nncs2)C[C@H]1O ZINC001193620056 792154055 /nfs/dbraw/zinc/15/40/55/792154055.db2.gz RZCDAZMFZMORSI-GHMZBOCLSA-N 1 2 365.419 -1.006 20 0 FAADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CN(CC(=O)Nc2nncs2)C[C@H]1O ZINC001193620056 792154052 /nfs/dbraw/zinc/15/40/52/792154052.db2.gz RZCDAZMFZMORSI-GHMZBOCLSA-N 1 2 365.419 -1.006 20 0 FAADLO Cc1c(CC(=O)N[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]2O)cnn1C ZINC001193628967 792154203 /nfs/dbraw/zinc/15/42/03/792154203.db2.gz HINQYIJNLACCBF-CHWSQXEVSA-N 1 2 359.452 -2.018 20 0 FAADLO Cc1c(CC(=O)N[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]2O)cnn1C ZINC001193628967 792154194 /nfs/dbraw/zinc/15/41/94/792154194.db2.gz HINQYIJNLACCBF-CHWSQXEVSA-N 1 2 359.452 -2.018 20 0 FAADLO Cc1c(CC(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]2O)cnn1C ZINC001193637733 792154407 /nfs/dbraw/zinc/15/44/07/792154407.db2.gz IDBNFYSUONSKGG-MVWJERBFSA-N 1 2 352.395 -1.984 20 0 FAADLO Cc1c(CC(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]2O)cnn1C ZINC001193637733 792154398 /nfs/dbraw/zinc/15/43/98/792154398.db2.gz IDBNFYSUONSKGG-MVWJERBFSA-N 1 2 352.395 -1.984 20 0 FAADLO Cc1c(CC(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]2O)cnn1C ZINC001193637734 792153841 /nfs/dbraw/zinc/15/38/41/792153841.db2.gz IDBNFYSUONSKGG-YUSALJHKSA-N 1 2 352.395 -1.984 20 0 FAADLO Cc1c(CC(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]2O)cnn1C ZINC001193637734 792153834 /nfs/dbraw/zinc/15/38/34/792153834.db2.gz IDBNFYSUONSKGG-YUSALJHKSA-N 1 2 352.395 -1.984 20 0 FAADLO COCCC1(C(=O)N[C@@H]2C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]2O)CC1 ZINC001193637759 792153869 /nfs/dbraw/zinc/15/38/69/792153869.db2.gz IXYVJTNTKWKQCY-CHWSQXEVSA-N 1 2 363.480 -1.144 20 0 FAADLO COCCC1(C(=O)N[C@@H]2C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]2O)CC1 ZINC001193637759 792153865 /nfs/dbraw/zinc/15/38/65/792153865.db2.gz IXYVJTNTKWKQCY-CHWSQXEVSA-N 1 2 363.480 -1.144 20 0 FAADLO CN(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2ccnn2)C1)C1CC1 ZINC001193661898 792155521 /nfs/dbraw/zinc/15/55/21/792155521.db2.gz DRPZRTGBALCSQF-ZIAGYGMSSA-N 1 2 350.423 -1.160 20 0 FAADLO CN(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2ccnn2)C1)C1CC1 ZINC001193661898 792155514 /nfs/dbraw/zinc/15/55/14/792155514.db2.gz DRPZRTGBALCSQF-ZIAGYGMSSA-N 1 2 350.423 -1.160 20 0 FAADLO O=C(CCCn1ccnn1)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001193662133 792155006 /nfs/dbraw/zinc/15/50/06/792155006.db2.gz GSQAGQAZDLHPOW-ZIAGYGMSSA-N 1 2 350.423 -1.158 20 0 FAADLO O=C(CCCn1ccnn1)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001193662133 792155000 /nfs/dbraw/zinc/15/50/00/792155000.db2.gz GSQAGQAZDLHPOW-ZIAGYGMSSA-N 1 2 350.423 -1.158 20 0 FAADLO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2ccnn2)C1 ZINC001193662280 792155808 /nfs/dbraw/zinc/15/58/08/792155808.db2.gz KBODPLABNXDGNJ-IACUBPJLSA-N 1 2 350.423 -1.113 20 0 FAADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2ccnn2)C1 ZINC001193662280 792155801 /nfs/dbraw/zinc/15/58/01/792155801.db2.gz KBODPLABNXDGNJ-IACUBPJLSA-N 1 2 350.423 -1.113 20 0 FAADLO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2ccnn2)C1 ZINC001193662292 792155594 /nfs/dbraw/zinc/15/55/94/792155594.db2.gz KBODPLABNXDGNJ-MRVWCRGKSA-N 1 2 350.423 -1.113 20 0 FAADLO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2ccnn2)C1 ZINC001193662292 792155588 /nfs/dbraw/zinc/15/55/88/792155588.db2.gz KBODPLABNXDGNJ-MRVWCRGKSA-N 1 2 350.423 -1.113 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2ccnn2)C1 ZINC001193663170 792155648 /nfs/dbraw/zinc/15/56/48/792155648.db2.gz VGPZKBLNYRSHIN-GMTAPVOTSA-N 1 2 353.383 -2.197 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2ccnn2)C1 ZINC001193663170 792155640 /nfs/dbraw/zinc/15/56/40/792155640.db2.gz VGPZKBLNYRSHIN-GMTAPVOTSA-N 1 2 353.383 -2.197 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2ccnn2)C1 ZINC001193663175 792155389 /nfs/dbraw/zinc/15/53/89/792155389.db2.gz VGPZKBLNYRSHIN-HBNTYKKESA-N 1 2 353.383 -2.197 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2ccnn2)C1 ZINC001193663175 792155385 /nfs/dbraw/zinc/15/53/85/792155385.db2.gz VGPZKBLNYRSHIN-HBNTYKKESA-N 1 2 353.383 -2.197 20 0 FAADLO CS(=O)(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2ccnn2)C1 ZINC001193677669 792155772 /nfs/dbraw/zinc/15/57/72/792155772.db2.gz IOCTXDATQVQMFL-VXGBXAGGSA-N 1 2 360.440 -2.231 20 0 FAADLO CS(=O)(=O)NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2ccnn2)C1 ZINC001193677669 792155764 /nfs/dbraw/zinc/15/57/64/792155764.db2.gz IOCTXDATQVQMFL-VXGBXAGGSA-N 1 2 360.440 -2.231 20 0 FAADLO O=C(CCCn1ccnn1)N[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001193677686 792154963 /nfs/dbraw/zinc/15/49/63/792154963.db2.gz ISZYKCGTAATPJQ-BFHYXJOUSA-N 1 2 371.463 -1.346 20 0 FAADLO O=C(CCCn1ccnn1)N[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001193677686 792154959 /nfs/dbraw/zinc/15/49/59/792154959.db2.gz ISZYKCGTAATPJQ-BFHYXJOUSA-N 1 2 371.463 -1.346 20 0 FAADLO O=C(CCCn1ccnn1)N[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001193677693 792155622 /nfs/dbraw/zinc/15/56/22/792155622.db2.gz ISZYKCGTAATPJQ-MGPQQGTHSA-N 1 2 371.463 -1.346 20 0 FAADLO O=C(CCCn1ccnn1)N[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001193677693 792155618 /nfs/dbraw/zinc/15/56/18/792155618.db2.gz ISZYKCGTAATPJQ-MGPQQGTHSA-N 1 2 371.463 -1.346 20 0 FAADLO O=C(CCCn1ccnn1)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001193677976 792155176 /nfs/dbraw/zinc/15/51/76/792155176.db2.gz MLMJTGWTAUBMOJ-GRYCIOLGSA-N 1 2 350.379 -1.975 20 0 FAADLO O=C(CCCn1ccnn1)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001193677976 792155167 /nfs/dbraw/zinc/15/51/67/792155167.db2.gz MLMJTGWTAUBMOJ-GRYCIOLGSA-N 1 2 350.379 -1.975 20 0 FAADLO O=C(CCCn1ccnn1)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001193677977 792155453 /nfs/dbraw/zinc/15/54/53/792155453.db2.gz MLMJTGWTAUBMOJ-IJLUTSLNSA-N 1 2 350.379 -1.975 20 0 FAADLO O=C(CCCn1ccnn1)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001193677977 792155450 /nfs/dbraw/zinc/15/54/50/792155450.db2.gz MLMJTGWTAUBMOJ-IJLUTSLNSA-N 1 2 350.379 -1.975 20 0 FAADLO CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CCCn3ccnn3)C2)C1=O ZINC001193678071 792155055 /nfs/dbraw/zinc/15/50/55/792155055.db2.gz PCVBNLRPLKYPQP-HZSPNIEDSA-N 1 2 350.423 -1.160 20 0 FAADLO CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCn3ccnn3)C2)C1=O ZINC001193678071 792155050 /nfs/dbraw/zinc/15/50/50/792155050.db2.gz PCVBNLRPLKYPQP-HZSPNIEDSA-N 1 2 350.423 -1.160 20 0 FAADLO CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CCCn3ccnn3)C2)C1=O ZINC001193678073 792155715 /nfs/dbraw/zinc/15/57/15/792155715.db2.gz PCVBNLRPLKYPQP-MGPQQGTHSA-N 1 2 350.423 -1.160 20 0 FAADLO CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCn3ccnn3)C2)C1=O ZINC001193678073 792155709 /nfs/dbraw/zinc/15/57/09/792155709.db2.gz PCVBNLRPLKYPQP-MGPQQGTHSA-N 1 2 350.423 -1.160 20 0 FAADLO CCn1nnc(C)c1C(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001193690356 792156300 /nfs/dbraw/zinc/15/63/00/792156300.db2.gz CLJMKYOCCOEVOG-CHWSQXEVSA-N 1 2 350.423 -1.092 20 0 FAADLO CCn1nnc(C)c1C(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001193690356 792156293 /nfs/dbraw/zinc/15/62/93/792156293.db2.gz CLJMKYOCCOEVOG-CHWSQXEVSA-N 1 2 350.423 -1.092 20 0 FAADLO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC001193690629 792156919 /nfs/dbraw/zinc/15/69/19/792156919.db2.gz GLDUBJZXLHFJSO-BFHYXJOUSA-N 1 2 354.451 -1.069 20 0 FAADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC001193690629 792156912 /nfs/dbraw/zinc/15/69/12/792156912.db2.gz GLDUBJZXLHFJSO-BFHYXJOUSA-N 1 2 354.451 -1.069 20 0 FAADLO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC(=O)NC2)C1 ZINC001193690631 792156441 /nfs/dbraw/zinc/15/64/41/792156441.db2.gz GLDUBJZXLHFJSO-MGPQQGTHSA-N 1 2 354.451 -1.069 20 0 FAADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC(=O)NC2)C1 ZINC001193690631 792156434 /nfs/dbraw/zinc/15/64/34/792156434.db2.gz GLDUBJZXLHFJSO-MGPQQGTHSA-N 1 2 354.451 -1.069 20 0 FAADLO CS(=O)(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC(=O)NC2)C1 ZINC001193690701 792156781 /nfs/dbraw/zinc/15/67/81/792156781.db2.gz HZVSAJSSKHHTHH-IJLUTSLNSA-N 1 2 362.452 -2.387 20 0 FAADLO 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C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)c2ccsc2)C1 ZINC001193934904 792166630 /nfs/dbraw/zinc/16/66/30/792166630.db2.gz OMQLDXCZVFUQTK-YUSALJHKSA-N 1 2 354.432 -1.097 20 0 FAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)c2ccsc2)C1 ZINC001193934904 792166625 /nfs/dbraw/zinc/16/66/25/792166625.db2.gz OMQLDXCZVFUQTK-YUSALJHKSA-N 1 2 354.432 -1.097 20 0 FAADLO CC1CCN(C(=O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)C(N)=O)C2)CC1 ZINC001193934914 792166749 /nfs/dbraw/zinc/16/67/49/792166749.db2.gz OUIVVQZKGCXGRC-CHWSQXEVSA-N 1 2 354.451 -1.082 20 0 FAADLO CC1CCN(C(=O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)C(N)=O)C2)CC1 ZINC001193934914 792166745 /nfs/dbraw/zinc/16/67/45/792166745.db2.gz OUIVVQZKGCXGRC-CHWSQXEVSA-N 1 2 354.451 -1.082 20 0 FAADLO CCN(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCNC2=O)C1)C1CC1 ZINC001193934947 792166707 /nfs/dbraw/zinc/16/67/07/792166707.db2.gz QCDPVGCAQWZOOF-BFHYXJOUSA-N 1 2 352.435 -1.315 20 0 FAADLO CCN(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCNC2=O)C1)C1CC1 ZINC001193934947 792166702 /nfs/dbraw/zinc/16/67/02/792166702.db2.gz QCDPVGCAQWZOOF-BFHYXJOUSA-N 1 2 352.435 -1.315 20 0 FAADLO CCN(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCNC2=O)C1)C1CC1 ZINC001193934948 792166691 /nfs/dbraw/zinc/16/66/91/792166691.db2.gz QCDPVGCAQWZOOF-MGPQQGTHSA-N 1 2 352.435 -1.315 20 0 FAADLO CCN(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCNC2=O)C1)C1CC1 ZINC001193934948 792166685 /nfs/dbraw/zinc/16/66/85/792166685.db2.gz QCDPVGCAQWZOOF-MGPQQGTHSA-N 1 2 352.435 -1.315 20 0 FAADLO O=C(CCNC(=O)c1ccsc1)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001193935183 792166724 /nfs/dbraw/zinc/16/67/24/792166724.db2.gz XCIKCSIOPSIBLB-FRRDWIJNSA-N 1 2 366.443 -1.082 20 0 FAADLO O=C(CCNC(=O)c1ccsc1)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001193935183 792166723 /nfs/dbraw/zinc/16/67/23/792166723.db2.gz XCIKCSIOPSIBLB-FRRDWIJNSA-N 1 2 366.443 -1.082 20 0 FAADLO O=C(CCNC(=O)c1ccsc1)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001193935184 792166974 /nfs/dbraw/zinc/16/69/74/792166974.db2.gz XCIKCSIOPSIBLB-JHJVBQTASA-N 1 2 366.443 -1.082 20 0 FAADLO O=C(CCNC(=O)c1ccsc1)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001193935184 792166972 /nfs/dbraw/zinc/16/69/72/792166972.db2.gz XCIKCSIOPSIBLB-JHJVBQTASA-N 1 2 366.443 -1.082 20 0 FAADLO Cc1ncn(C)c1C(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001193935235 792166954 /nfs/dbraw/zinc/16/69/54/792166954.db2.gz ZKUVBSHUCOICES-VXGBXAGGSA-N 1 2 359.452 -1.605 20 0 FAADLO Cc1ncn(C)c1C(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001193935235 792166949 /nfs/dbraw/zinc/16/69/49/792166949.db2.gz ZKUVBSHUCOICES-VXGBXAGGSA-N 1 2 359.452 -1.605 20 0 FAADLO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1O ZINC001193940673 792167074 /nfs/dbraw/zinc/16/70/74/792167074.db2.gz AWSXVZLEDDZCED-VXGBXAGGSA-N 1 2 361.464 -1.516 20 0 FAADLO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1O ZINC001193940673 792167070 /nfs/dbraw/zinc/16/70/70/792167070.db2.gz AWSXVZLEDDZCED-VXGBXAGGSA-N 1 2 361.464 -1.516 20 0 FAADLO C[C@@H]1CCCN(C(=O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)C(N)=O)C2)C1 ZINC001193940804 792166914 /nfs/dbraw/zinc/16/69/14/792166914.db2.gz GSNBLJZBWAIIKV-JHJVBQTASA-N 1 2 354.451 -1.082 20 0 FAADLO C[C@@H]1CCCN(C(=O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)C(N)=O)C2)C1 ZINC001193940804 792166908 /nfs/dbraw/zinc/16/69/08/792166908.db2.gz GSNBLJZBWAIIKV-JHJVBQTASA-N 1 2 354.451 -1.082 20 0 FAADLO C[C@H]1CCCN(C(=O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)C(N)=O)C2)C1 ZINC001193940806 792166836 /nfs/dbraw/zinc/16/68/36/792166836.db2.gz GSNBLJZBWAIIKV-YNEHKIRRSA-N 1 2 354.451 -1.082 20 0 FAADLO C[C@H]1CCCN(C(=O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)C(N)=O)C2)C1 ZINC001193940806 792166830 /nfs/dbraw/zinc/16/68/30/792166830.db2.gz GSNBLJZBWAIIKV-YNEHKIRRSA-N 1 2 354.451 -1.082 20 0 FAADLO CN(CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(N)=O)C1)S(C)(=O)=O ZINC001193940836 792167012 /nfs/dbraw/zinc/16/70/12/792167012.db2.gz HAHHRLNTJJRVRK-NXEZZACHSA-N 1 2 350.441 -2.449 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(N)=O)C1)S(C)(=O)=O ZINC001193940836 792167009 /nfs/dbraw/zinc/16/70/09/792167009.db2.gz HAHHRLNTJJRVRK-NXEZZACHSA-N 1 2 350.441 -2.449 20 0 FAADLO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001193941008 792167879 /nfs/dbraw/zinc/16/78/79/792167879.db2.gz LMLHKAYANVONSL-IJLUTSLNSA-N 1 2 361.464 -1.516 20 0 FAADLO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001193941008 792167874 /nfs/dbraw/zinc/16/78/74/792167874.db2.gz LMLHKAYANVONSL-IJLUTSLNSA-N 1 2 361.464 -1.516 20 0 FAADLO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001193941011 792168202 /nfs/dbraw/zinc/16/82/02/792168202.db2.gz LMLHKAYANVONSL-QJPTWQEYSA-N 1 2 361.464 -1.516 20 0 FAADLO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001193941011 792168198 /nfs/dbraw/zinc/16/81/98/792168198.db2.gz LMLHKAYANVONSL-QJPTWQEYSA-N 1 2 361.464 -1.516 20 0 FAADLO CN(CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cncs2)C1)S(C)(=O)=O ZINC001193941526 792171261 /nfs/dbraw/zinc/17/12/61/792171261.db2.gz VYAYYKSSVNDPBE-VXGBXAGGSA-N 1 2 362.477 -1.262 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cncs2)C1)S(C)(=O)=O ZINC001193941526 792171255 /nfs/dbraw/zinc/17/12/55/792171255.db2.gz VYAYYKSSVNDPBE-VXGBXAGGSA-N 1 2 362.477 -1.262 20 0 FAADLO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001193941611 792171073 /nfs/dbraw/zinc/17/10/73/792171073.db2.gz XULNRWOJIGFDJE-GHMZBOCLSA-N 1 2 362.452 -2.305 20 0 FAADLO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001193941611 792171064 /nfs/dbraw/zinc/17/10/64/792171064.db2.gz XULNRWOJIGFDJE-GHMZBOCLSA-N 1 2 362.452 -2.305 20 0 FAADLO CC(C)(C)NC(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001193941632 792171237 /nfs/dbraw/zinc/17/12/37/792171237.db2.gz YXJJKECTQXJGJU-GHMZBOCLSA-N 1 2 357.455 -1.243 20 0 FAADLO CC(C)(C)NC(=O)NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001193941632 792171228 /nfs/dbraw/zinc/17/12/28/792171228.db2.gz YXJJKECTQXJGJU-GHMZBOCLSA-N 1 2 357.455 -1.243 20 0 FAADLO Cc1csc(=O)n1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001193947046 792172611 /nfs/dbraw/zinc/17/26/11/792172611.db2.gz GAVBZPNAZRMJAJ-GHMZBOCLSA-N 1 2 356.448 -1.109 20 0 FAADLO Cc1csc(=O)n1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001193947046 792172605 /nfs/dbraw/zinc/17/26/05/792172605.db2.gz GAVBZPNAZRMJAJ-GHMZBOCLSA-N 1 2 356.448 -1.109 20 0 FAADLO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1O ZINC001193947727 792172503 /nfs/dbraw/zinc/17/25/03/792172503.db2.gz VQNRXFAPIOEXDG-IJLUTSLNSA-N 1 2 361.464 -1.516 20 0 FAADLO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1O ZINC001193947727 792172497 /nfs/dbraw/zinc/17/24/97/792172497.db2.gz VQNRXFAPIOEXDG-IJLUTSLNSA-N 1 2 361.464 -1.516 20 0 FAADLO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1O ZINC001193947728 792172246 /nfs/dbraw/zinc/17/22/46/792172246.db2.gz VQNRXFAPIOEXDG-QJPTWQEYSA-N 1 2 361.464 -1.516 20 0 FAADLO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1O ZINC001193947728 792172236 /nfs/dbraw/zinc/17/22/36/792172236.db2.gz VQNRXFAPIOEXDG-QJPTWQEYSA-N 1 2 361.464 -1.516 20 0 FAADLO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1O ZINC001193947772 792172551 /nfs/dbraw/zinc/17/25/51/792172551.db2.gz WLXCGKRPCAUOPB-FRRDWIJNSA-N 1 2 352.435 -1.187 20 0 FAADLO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1O ZINC001193947772 792172543 /nfs/dbraw/zinc/17/25/43/792172543.db2.gz WLXCGKRPCAUOPB-FRRDWIJNSA-N 1 2 352.435 -1.187 20 0 FAADLO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1O ZINC001193947776 792172477 /nfs/dbraw/zinc/17/24/77/792172477.db2.gz WLXCGKRPCAUOPB-JHJVBQTASA-N 1 2 352.435 -1.187 20 0 FAADLO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1O ZINC001193947776 792172471 /nfs/dbraw/zinc/17/24/71/792172471.db2.gz WLXCGKRPCAUOPB-JHJVBQTASA-N 1 2 352.435 -1.187 20 0 FAADLO CN(CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c(=O)c2)C1)S(C)(=O)=O ZINC001193952629 792168894 /nfs/dbraw/zinc/16/88/94/792168894.db2.gz CUMSXMMXUODSJS-GHMZBOCLSA-N 1 2 359.408 -2.152 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c(=O)c2)C1)S(C)(=O)=O ZINC001193952629 792168888 /nfs/dbraw/zinc/16/88/88/792168888.db2.gz CUMSXMMXUODSJS-GHMZBOCLSA-N 1 2 359.408 -2.152 20 0 FAADLO COCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001193954107 792168673 /nfs/dbraw/zinc/16/86/73/792168673.db2.gz QSVAGKHLJZPUQJ-IJLUTSLNSA-N 1 2 358.439 -1.800 20 0 FAADLO COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001193954107 792168653 /nfs/dbraw/zinc/16/86/53/792168653.db2.gz QSVAGKHLJZPUQJ-IJLUTSLNSA-N 1 2 358.439 -1.800 20 0 FAADLO 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352.351 -2.199 20 0 FAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001194014946 792173224 /nfs/dbraw/zinc/17/32/24/792173224.db2.gz CUKNRHBBKJQISW-SZEHBUNVSA-N 1 2 352.351 -2.199 20 0 FAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001194014946 792173218 /nfs/dbraw/zinc/17/32/18/792173218.db2.gz CUKNRHBBKJQISW-SZEHBUNVSA-N 1 2 352.351 -2.199 20 0 FAADLO CC(C)NC(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001194015708 792173387 /nfs/dbraw/zinc/17/33/87/792173387.db2.gz JPNUKPASBDRHJU-VXGBXAGGSA-N 1 2 352.395 -1.335 20 0 FAADLO CC(C)NC(=O)NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001194015708 792173384 /nfs/dbraw/zinc/17/33/84/792173384.db2.gz JPNUKPASBDRHJU-VXGBXAGGSA-N 1 2 352.395 -1.335 20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001194015746 792173568 /nfs/dbraw/zinc/17/35/68/792173568.db2.gz LEBJIJFLDHTRJY-GHMZBOCLSA-N 1 2 359.408 -2.104 20 0 FAADLO CCS(=O)(=O)NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001194015746 792173563 /nfs/dbraw/zinc/17/35/63/792173563.db2.gz LEBJIJFLDHTRJY-GHMZBOCLSA-N 1 2 359.408 -2.104 20 0 FAADLO C[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc[nH]c2=O)C1)CS(C)(=O)=O ZINC001194015790 792173834 /nfs/dbraw/zinc/17/38/34/792173834.db2.gz MZIDHIGLKKYFJT-MVWJERBFSA-N 1 2 358.420 -1.362 20 0 FAADLO C[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc[nH]c2=O)C1)CS(C)(=O)=O ZINC001194015790 792173830 /nfs/dbraw/zinc/17/38/30/792173830.db2.gz MZIDHIGLKKYFJT-MVWJERBFSA-N 1 2 358.420 -1.362 20 0 FAADLO C[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc[nH]c2=O)C1)CS(C)(=O)=O ZINC001194015791 792173815 /nfs/dbraw/zinc/17/38/15/792173815.db2.gz MZIDHIGLKKYFJT-YUSALJHKSA-N 1 2 358.420 -1.362 20 0 FAADLO C[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc[nH]c2=O)C1)CS(C)(=O)=O ZINC001194015791 792173811 /nfs/dbraw/zinc/17/38/11/792173811.db2.gz MZIDHIGLKKYFJT-YUSALJHKSA-N 1 2 358.420 -1.362 20 0 FAADLO CN(CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc[nH]c2=O)C1)S(C)(=O)=O ZINC001194017018 792173607 /nfs/dbraw/zinc/17/36/07/792173607.db2.gz XKPGHNFMIAPSJW-GHMZBOCLSA-N 1 2 359.408 -2.152 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc[nH]c2=O)C1)S(C)(=O)=O ZINC001194017018 792173602 /nfs/dbraw/zinc/17/36/02/792173602.db2.gz XKPGHNFMIAPSJW-GHMZBOCLSA-N 1 2 359.408 -2.152 20 0 FAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc(C)c(C)[nH]c2=O)C1 ZINC001194023497 792173453 /nfs/dbraw/zinc/17/34/53/792173453.db2.gz HXPJTHKUFFDIGX-VXGBXAGGSA-N 1 2 351.407 -1.360 20 0 FAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nc(C)c(C)[nH]c2=O)C1 ZINC001194023497 792173449 /nfs/dbraw/zinc/17/34/49/792173449.db2.gz HXPJTHKUFFDIGX-VXGBXAGGSA-N 1 2 351.407 -1.360 20 0 FAADLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CN(CC(=O)NC(N)=O)C[C@H]2O)c[nH+]1 ZINC001194031577 792173542 /nfs/dbraw/zinc/17/35/42/792173542.db2.gz JXWMNDRWTCVKEO-GHMZBOCLSA-N 1 2 352.395 -1.717 20 0 FAADLO Cn1nccc1COCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001194038224 792174784 /nfs/dbraw/zinc/17/47/84/792174784.db2.gz AANARSWKFFVBJB-ZIAGYGMSSA-N 1 2 351.407 -1.670 20 0 FAADLO Cn1nccc1COCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001194038224 792174775 /nfs/dbraw/zinc/17/47/75/792174775.db2.gz AANARSWKFFVBJB-ZIAGYGMSSA-N 1 2 351.407 -1.670 20 0 FAADLO Cn1nccc1COCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001194038335 792174992 /nfs/dbraw/zinc/17/49/92/792174992.db2.gz BUFTTZVQWTXGDJ-HZSPNIEDSA-N 1 2 351.407 -1.623 20 0 FAADLO Cn1nccc1COCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001194038335 792174984 /nfs/dbraw/zinc/17/49/84/792174984.db2.gz BUFTTZVQWTXGDJ-HZSPNIEDSA-N 1 2 351.407 -1.623 20 0 FAADLO Cn1nccc1COCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001194038336 792174913 /nfs/dbraw/zinc/17/49/13/792174913.db2.gz BUFTTZVQWTXGDJ-MGPQQGTHSA-N 1 2 351.407 -1.623 20 0 FAADLO Cn1nccc1COCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001194038336 792174905 /nfs/dbraw/zinc/17/49/05/792174905.db2.gz BUFTTZVQWTXGDJ-MGPQQGTHSA-N 1 2 351.407 -1.623 20 0 FAADLO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCc2ccnn2C)C1 ZINC001194038620 792173467 /nfs/dbraw/zinc/17/34/67/792173467.db2.gz HISXGOGTQLLGFU-IACUBPJLSA-N 1 2 353.423 -1.425 20 0 FAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCc2ccnn2C)C1 ZINC001194038620 792173463 /nfs/dbraw/zinc/17/34/63/792173463.db2.gz HISXGOGTQLLGFU-IACUBPJLSA-N 1 2 353.423 -1.425 20 0 FAADLO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCc2ccnn2C)C1 ZINC001194038621 792173649 /nfs/dbraw/zinc/17/36/49/792173649.db2.gz HISXGOGTQLLGFU-MRVWCRGKSA-N 1 2 353.423 -1.425 20 0 FAADLO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCc2ccnn2C)C1 ZINC001194038621 792173643 /nfs/dbraw/zinc/17/36/43/792173643.db2.gz HISXGOGTQLLGFU-MRVWCRGKSA-N 1 2 353.423 -1.425 20 0 FAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COCc2ccnn2C)C1 ZINC001194039684 792174501 /nfs/dbraw/zinc/17/45/01/792174501.db2.gz SCQSMXKBPOXKIO-ZIAGYGMSSA-N 1 2 353.423 -1.424 20 0 FAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCc2ccnn2C)C1 ZINC001194039684 792174495 /nfs/dbraw/zinc/17/44/95/792174495.db2.gz SCQSMXKBPOXKIO-ZIAGYGMSSA-N 1 2 353.423 -1.424 20 0 FAADLO Cc1cc(COCC(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2O)on1 ZINC001194045696 792174745 /nfs/dbraw/zinc/17/47/45/792174745.db2.gz DGLQYAGDUOPEIG-ZIAGYGMSSA-N 1 2 352.391 -1.107 20 0 FAADLO Cc1cc(COCC(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2O)on1 ZINC001194045696 792174738 /nfs/dbraw/zinc/17/47/38/792174738.db2.gz DGLQYAGDUOPEIG-ZIAGYGMSSA-N 1 2 352.391 -1.107 20 0 FAADLO CN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)COCc3ccnn3C)C2)C1=O ZINC001194046129 792175015 /nfs/dbraw/zinc/17/50/15/792175015.db2.gz PLLZBGBUIAAEDG-HZSPNIEDSA-N 1 2 351.407 -1.671 20 0 FAADLO CN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)COCc3ccnn3C)C2)C1=O ZINC001194046129 792175007 /nfs/dbraw/zinc/17/50/07/792175007.db2.gz PLLZBGBUIAAEDG-HZSPNIEDSA-N 1 2 351.407 -1.671 20 0 FAADLO CN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)COCc3ccnn3C)C2)C1=O ZINC001194046131 792174456 /nfs/dbraw/zinc/17/44/56/792174456.db2.gz PLLZBGBUIAAEDG-MGPQQGTHSA-N 1 2 351.407 -1.671 20 0 FAADLO CN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)COCc3ccnn3C)C2)C1=O ZINC001194046131 792174451 /nfs/dbraw/zinc/17/44/51/792174451.db2.gz PLLZBGBUIAAEDG-MGPQQGTHSA-N 1 2 351.407 -1.671 20 0 FAADLO Cc1cc(COCC(=O)N[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]2O)on1 ZINC001194046300 792175701 /nfs/dbraw/zinc/17/57/01/792175701.db2.gz VLVUSKKRMOWZMQ-HZSPNIEDSA-N 1 2 352.391 -1.060 20 0 FAADLO Cc1cc(COCC(=O)N[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]2O)on1 ZINC001194046300 792175696 /nfs/dbraw/zinc/17/56/96/792175696.db2.gz VLVUSKKRMOWZMQ-HZSPNIEDSA-N 1 2 352.391 -1.060 20 0 FAADLO Cc1cc(COCC(=O)N[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]2O)on1 ZINC001194046301 792175555 /nfs/dbraw/zinc/17/55/55/792175555.db2.gz VLVUSKKRMOWZMQ-MGPQQGTHSA-N 1 2 352.391 -1.060 20 0 FAADLO Cc1cc(COCC(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]2O)on1 ZINC001194046301 792175551 /nfs/dbraw/zinc/17/55/51/792175551.db2.gz VLVUSKKRMOWZMQ-MGPQQGTHSA-N 1 2 352.391 -1.060 20 0 FAADLO Cc1cc(COCC(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]2O)on1 ZINC001194046461 792175642 /nfs/dbraw/zinc/17/56/42/792175642.db2.gz YEASWQUXXKXBCA-HZSPNIEDSA-N 1 2 352.391 -1.108 20 0 FAADLO Cc1cc(COCC(=O)N[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]2O)on1 ZINC001194046461 792175639 /nfs/dbraw/zinc/17/56/39/792175639.db2.gz YEASWQUXXKXBCA-HZSPNIEDSA-N 1 2 352.391 -1.108 20 0 FAADLO Cc1cc(COCC(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]2O)on1 ZINC001194046464 792175563 /nfs/dbraw/zinc/17/55/63/792175563.db2.gz YEASWQUXXKXBCA-MGPQQGTHSA-N 1 2 352.391 -1.108 20 0 FAADLO Cc1cc(COCC(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]2O)on1 ZINC001194046464 792175561 /nfs/dbraw/zinc/17/55/61/792175561.db2.gz YEASWQUXXKXBCA-MGPQQGTHSA-N 1 2 352.391 -1.108 20 0 FAADLO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCNC(=O)C2)C1 ZINC001194053540 792176064 /nfs/dbraw/zinc/17/60/64/792176064.db2.gz BUDVHWNDMGMATI-PBFPGSCMSA-N 1 2 354.451 -1.069 20 0 FAADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCNC(=O)C2)C1 ZINC001194053540 792176057 /nfs/dbraw/zinc/17/60/57/792176057.db2.gz BUDVHWNDMGMATI-PBFPGSCMSA-N 1 2 354.451 -1.069 20 0 FAADLO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CCNC(=O)C2)C1 ZINC001194053543 792175664 /nfs/dbraw/zinc/17/56/64/792175664.db2.gz BUDVHWNDMGMATI-XNJGSVPQSA-N 1 2 354.451 -1.069 20 0 FAADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CCNC(=O)C2)C1 ZINC001194053543 792175661 /nfs/dbraw/zinc/17/56/61/792175661.db2.gz BUDVHWNDMGMATI-XNJGSVPQSA-N 1 2 354.451 -1.069 20 0 FAADLO CCN(CC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCNC(=O)C2)C1 ZINC001194053986 792175772 /nfs/dbraw/zinc/17/57/72/792175772.db2.gz GLJDDEFGUOLHQS-PBFPGSCMSA-N 1 2 354.451 -1.068 20 0 FAADLO CCN(CC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCNC(=O)C2)C1 ZINC001194053986 792175769 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CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)CC(=O)NC(C)C)C1 ZINC001194423680 792201979 /nfs/dbraw/zinc/20/19/79/792201979.db2.gz DBYBTHLMBIRZCF-YNEHKIRRSA-N 1 2 357.455 -2.261 20 0 FAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)CC(=O)NC(C)C)C1 ZINC001194423680 792201974 /nfs/dbraw/zinc/20/19/74/792201974.db2.gz DBYBTHLMBIRZCF-YNEHKIRRSA-N 1 2 357.455 -2.261 20 0 FAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)CC(=O)NC(C)C)C1 ZINC001194423713 792202056 /nfs/dbraw/zinc/20/20/56/792202056.db2.gz FDHFVLVTTPXNBJ-FRRDWIJNSA-N 1 2 357.455 -2.132 20 0 FAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)CC(=O)NC(C)C)C1 ZINC001194423713 792202051 /nfs/dbraw/zinc/20/20/51/792202051.db2.gz FDHFVLVTTPXNBJ-FRRDWIJNSA-N 1 2 357.455 -2.132 20 0 FAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)CC(=O)NC(C)C)C1 ZINC001194423714 792202411 /nfs/dbraw/zinc/20/24/11/792202411.db2.gz FDHFVLVTTPXNBJ-JHJVBQTASA-N 1 2 357.455 -2.132 20 0 FAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)CC(=O)NC(C)C)C1 ZINC001194423714 792202402 /nfs/dbraw/zinc/20/24/02/792202402.db2.gz FDHFVLVTTPXNBJ-JHJVBQTASA-N 1 2 357.455 -2.132 20 0 FAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001194436284 792205547 /nfs/dbraw/zinc/20/55/47/792205547.db2.gz AOQDJLMHTJCYFM-DGCLKSJQSA-N 1 2 351.407 -1.623 20 0 FAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001194436284 792205536 /nfs/dbraw/zinc/20/55/36/792205536.db2.gz AOQDJLMHTJCYFM-DGCLKSJQSA-N 1 2 351.407 -1.623 20 0 FAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCc2nnc(C)s2)C1 ZINC001194450643 792203502 /nfs/dbraw/zinc/20/35/02/792203502.db2.gz BISDGQKHXKNHMP-GMTAPVOTSA-N 1 2 357.436 -1.212 20 0 FAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCc2nnc(C)s2)C1 ZINC001194450643 792203495 /nfs/dbraw/zinc/20/34/95/792203495.db2.gz BISDGQKHXKNHMP-GMTAPVOTSA-N 1 2 357.436 -1.212 20 0 FAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCc2nnc(C)s2)C1 ZINC001194450644 792203363 /nfs/dbraw/zinc/20/33/63/792203363.db2.gz BISDGQKHXKNHMP-OUAUKWLOSA-N 1 2 357.436 -1.212 20 0 FAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCc2nnc(C)s2)C1 ZINC001194450644 792203357 /nfs/dbraw/zinc/20/33/57/792203357.db2.gz BISDGQKHXKNHMP-OUAUKWLOSA-N 1 2 357.436 -1.212 20 0 FAADLO Cc1nnc(COCC(=O)N[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]2O)s1 ZINC001194450719 792203595 /nfs/dbraw/zinc/20/35/95/792203595.db2.gz GAONOCJVBLZBQN-GRYCIOLGSA-N 1 2 369.447 -1.197 20 0 FAADLO Cc1nnc(COCC(=O)N[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]2O)s1 ZINC001194450719 792203584 /nfs/dbraw/zinc/20/35/84/792203584.db2.gz GAONOCJVBLZBQN-GRYCIOLGSA-N 1 2 369.447 -1.197 20 0 FAADLO Cc1nnc(COCC(=O)N[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]2O)s1 ZINC001194450720 792203282 /nfs/dbraw/zinc/20/32/82/792203282.db2.gz GAONOCJVBLZBQN-IJLUTSLNSA-N 1 2 369.447 -1.197 20 0 FAADLO Cc1nnc(COCC(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]2O)s1 ZINC001194450720 792203277 /nfs/dbraw/zinc/20/32/77/792203277.db2.gz GAONOCJVBLZBQN-IJLUTSLNSA-N 1 2 369.447 -1.197 20 0 FAADLO Cc1nnc(COCC(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2O)s1 ZINC001194450806 792203530 /nfs/dbraw/zinc/20/35/30/792203530.db2.gz HPFDOJRXMVNJOU-GHMZBOCLSA-N 1 2 357.436 -1.387 20 0 FAADLO Cc1nnc(COCC(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2O)s1 ZINC001194450806 792203523 /nfs/dbraw/zinc/20/35/23/792203523.db2.gz HPFDOJRXMVNJOU-GHMZBOCLSA-N 1 2 357.436 -1.387 20 0 FAADLO Cc1nnc(COCC(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]2O)s1 ZINC001194450841 792203868 /nfs/dbraw/zinc/20/38/68/792203868.db2.gz IGLQKCJGCMYZEK-GRYCIOLGSA-N 1 2 369.447 -1.245 20 0 FAADLO Cc1nnc(COCC(=O)N[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]2O)s1 ZINC001194450841 792203863 /nfs/dbraw/zinc/20/38/63/792203863.db2.gz IGLQKCJGCMYZEK-GRYCIOLGSA-N 1 2 369.447 -1.245 20 0 FAADLO Cc1nnc(COCC(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]2O)s1 ZINC001194450843 792203557 /nfs/dbraw/zinc/20/35/57/792203557.db2.gz IGLQKCJGCMYZEK-IJLUTSLNSA-N 1 2 369.447 -1.245 20 0 FAADLO Cc1nnc(COCC(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]2O)s1 ZINC001194450843 792203548 /nfs/dbraw/zinc/20/35/48/792203548.db2.gz IGLQKCJGCMYZEK-IJLUTSLNSA-N 1 2 369.447 -1.245 20 0 FAADLO Cc1nnc(COCC(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2O)s1 ZINC001194450920 792203962 /nfs/dbraw/zinc/20/39/62/792203962.db2.gz KSBHWHPUAYTPKW-VXGBXAGGSA-N 1 2 369.447 -1.243 20 0 FAADLO Cc1nnc(COCC(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2O)s1 ZINC001194450920 792203959 /nfs/dbraw/zinc/20/39/59/792203959.db2.gz KSBHWHPUAYTPKW-VXGBXAGGSA-N 1 2 369.447 -1.243 20 0 FAADLO CC(C)NC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001194451097 792203887 /nfs/dbraw/zinc/20/38/87/792203887.db2.gz LMGZVNVICXXIPY-GHMZBOCLSA-N 1 2 353.379 -2.365 20 0 FAADLO CC(C)NC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001194451097 792203881 /nfs/dbraw/zinc/20/38/81/792203881.db2.gz LMGZVNVICXXIPY-GHMZBOCLSA-N 1 2 353.379 -2.365 20 0 FAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCc2nnc(C)s2)C1 ZINC001194451469 792203767 /nfs/dbraw/zinc/20/37/67/792203767.db2.gz QHMFMTBGGQVTGS-FBIMIBRVSA-N 1 2 357.436 -1.341 20 0 FAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCc2nnc(C)s2)C1 ZINC001194451469 792203762 /nfs/dbraw/zinc/20/37/62/792203762.db2.gz QHMFMTBGGQVTGS-FBIMIBRVSA-N 1 2 357.436 -1.341 20 0 FAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCc2nnc(C)s2)C1 ZINC001194451474 792203936 /nfs/dbraw/zinc/20/39/36/792203936.db2.gz QHMFMTBGGQVTGS-JMJZKYOTSA-N 1 2 357.436 -1.341 20 0 FAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCc2nnc(C)s2)C1 ZINC001194451474 792203931 /nfs/dbraw/zinc/20/39/31/792203931.db2.gz QHMFMTBGGQVTGS-JMJZKYOTSA-N 1 2 357.436 -1.341 20 0 FAADLO Cc1nnc(COCC(=O)N[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]2O)s1 ZINC001194451743 792205093 /nfs/dbraw/zinc/20/50/93/792205093.db2.gz UWIGXTVHCOVXOV-GMTAPVOTSA-N 1 2 355.420 -1.587 20 0 FAADLO Cc1nnc(COCC(=O)N[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]2O)s1 ZINC001194451743 792205088 /nfs/dbraw/zinc/20/50/88/792205088.db2.gz UWIGXTVHCOVXOV-GMTAPVOTSA-N 1 2 355.420 -1.587 20 0 FAADLO Cc1nnc(COCC(=O)N[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]2O)s1 ZINC001194451764 792204735 /nfs/dbraw/zinc/20/47/35/792204735.db2.gz UWIGXTVHCOVXOV-OUAUKWLOSA-N 1 2 355.420 -1.587 20 0 FAADLO Cc1nnc(COCC(=O)N[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]2O)s1 ZINC001194451764 792204726 /nfs/dbraw/zinc/20/47/26/792204726.db2.gz UWIGXTVHCOVXOV-OUAUKWLOSA-N 1 2 355.420 -1.587 20 0 FAADLO CS(=O)(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cccnc2)C1 ZINC001194461397 792204914 /nfs/dbraw/zinc/20/49/14/792204914.db2.gz UGEVQDCDFDRLAI-ZIAGYGMSSA-N 1 2 356.448 -1.275 20 0 FAADLO CS(=O)(=O)NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cccnc2)C1 ZINC001194461397 792204903 /nfs/dbraw/zinc/20/49/03/792204903.db2.gz UGEVQDCDFDRLAI-ZIAGYGMSSA-N 1 2 356.448 -1.275 20 0 FAADLO CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCCNC(N)=O)C1 ZINC001194467983 792204885 /nfs/dbraw/zinc/20/48/85/792204885.db2.gz DJSACPLWRVCDDM-JHJVBQTASA-N 1 2 357.455 -1.099 20 0 FAADLO CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCCNC(N)=O)C1 ZINC001194467983 792204879 /nfs/dbraw/zinc/20/48/79/792204879.db2.gz DJSACPLWRVCDDM-JHJVBQTASA-N 1 2 357.455 -1.099 20 0 FAADLO CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCCNC(N)=O)C1 ZINC001194467987 792204632 /nfs/dbraw/zinc/20/46/32/792204632.db2.gz DJSACPLWRVCDDM-YNEHKIRRSA-N 1 2 357.455 -1.099 20 0 FAADLO CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCCNC(N)=O)C1 ZINC001194467987 792204627 /nfs/dbraw/zinc/20/46/27/792204627.db2.gz DJSACPLWRVCDDM-YNEHKIRRSA-N 1 2 357.455 -1.099 20 0 FAADLO NC(=O)NCCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001194468178 792205237 /nfs/dbraw/zinc/20/52/37/792205237.db2.gz HELXNIGDXKNFOQ-CHWSQXEVSA-N 1 2 355.439 -1.391 20 0 FAADLO NC(=O)NCCCCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001194468178 792205232 /nfs/dbraw/zinc/20/52/32/792205232.db2.gz HELXNIGDXKNFOQ-CHWSQXEVSA-N 1 2 355.439 -1.391 20 0 FAADLO CN(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCCNC(N)=O)C1)C1CC1 ZINC001194468237 792205167 /nfs/dbraw/zinc/20/51/67/792205167.db2.gz JOWGCUMDYRZOFK-CHWSQXEVSA-N 1 2 355.439 -1.393 20 0 FAADLO CN(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCCNC(N)=O)C1)C1CC1 ZINC001194468237 792205161 /nfs/dbraw/zinc/20/51/61/792205161.db2.gz JOWGCUMDYRZOFK-CHWSQXEVSA-N 1 2 355.439 -1.393 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCCNC(N)=O)C1 ZINC001194468884 792204710 /nfs/dbraw/zinc/20/47/10/792204710.db2.gz SZFOGSFAXBNGLP-IVZWLZJFSA-N 1 2 358.399 -2.430 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCCNC(N)=O)C1 ZINC001194468884 792204700 /nfs/dbraw/zinc/20/47/00/792204700.db2.gz SZFOGSFAXBNGLP-IVZWLZJFSA-N 1 2 358.399 -2.430 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCCNC(N)=O)C1 ZINC001194468898 792204975 /nfs/dbraw/zinc/20/49/75/792204975.db2.gz 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/nfs/dbraw/zinc/22/23/72/792222372.db2.gz MFYBGMVNSPLRQJ-VXGBXAGGSA-N 1 2 354.411 -2.389 20 0 FAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001194952209 792222358 /nfs/dbraw/zinc/22/23/58/792222358.db2.gz MFYBGMVNSPLRQJ-VXGBXAGGSA-N 1 2 354.411 -2.389 20 0 FAADLO CC(C)NC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001194952237 792222210 /nfs/dbraw/zinc/22/22/10/792222210.db2.gz NDUKIZQZCPRMLH-VXGBXAGGSA-N 1 2 354.411 -2.342 20 0 FAADLO CC(C)NC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001194952237 792222203 /nfs/dbraw/zinc/22/22/03/792222203.db2.gz NDUKIZQZCPRMLH-VXGBXAGGSA-N 1 2 354.411 -2.342 20 0 FAADLO Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCn3ncn(C)c3=O)C2)on1 ZINC001194952603 792222135 /nfs/dbraw/zinc/22/21/35/792222135.db2.gz PTGMJYUDXSAVSZ-CHWSQXEVSA-N 1 2 350.379 -1.370 20 0 FAADLO Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCn3ncn(C)c3=O)C2)on1 ZINC001194952603 792222128 /nfs/dbraw/zinc/22/21/28/792222128.db2.gz PTGMJYUDXSAVSZ-CHWSQXEVSA-N 1 2 350.379 -1.370 20 0 FAADLO Cn1cnn(CCC(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2O)c1=O ZINC001194952731 792222097 /nfs/dbraw/zinc/22/20/97/792222097.db2.gz RWFXSRPTENLWEC-VXGBXAGGSA-N 1 2 352.395 -2.635 20 0 FAADLO Cn1cnn(CCC(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2O)c1=O ZINC001194952731 792222090 /nfs/dbraw/zinc/22/20/90/792222090.db2.gz RWFXSRPTENLWEC-VXGBXAGGSA-N 1 2 352.395 -2.635 20 0 FAADLO Cn1cnn(CCC(=O)N[C@@H]2C[N@@H+](Cc3cncs3)C[C@H]2O)c1=O ZINC001194952767 792222256 /nfs/dbraw/zinc/22/22/56/792222256.db2.gz STHQNRNSDOOEON-VXGBXAGGSA-N 1 2 352.420 -1.210 20 0 FAADLO Cn1cnn(CCC(=O)N[C@@H]2C[N@H+](Cc3cncs3)C[C@H]2O)c1=O ZINC001194952767 792222250 /nfs/dbraw/zinc/22/22/50/792222250.db2.gz STHQNRNSDOOEON-VXGBXAGGSA-N 1 2 352.420 -1.210 20 0 FAADLO Cc1ncoc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001194952768 792222033 /nfs/dbraw/zinc/22/20/33/792222033.db2.gz SYFYFXDQKJYSDH-VXGBXAGGSA-N 1 2 350.379 -1.370 20 0 FAADLO Cc1ncoc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001194952768 792222030 /nfs/dbraw/zinc/22/20/30/792222030.db2.gz SYFYFXDQKJYSDH-VXGBXAGGSA-N 1 2 350.379 -1.370 20 0 FAADLO Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCn3ncn(C)c3=O)C2)o1 ZINC001194952821 792223633 /nfs/dbraw/zinc/22/36/33/792223633.db2.gz UPOSNNIZXIYZGH-CHWSQXEVSA-N 1 2 350.379 -1.370 20 0 FAADLO Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCn3ncn(C)c3=O)C2)o1 ZINC001194952821 792223629 /nfs/dbraw/zinc/22/36/29/792223629.db2.gz UPOSNNIZXIYZGH-CHWSQXEVSA-N 1 2 350.379 -1.370 20 0 FAADLO Cc1oncc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001194952896 792223164 /nfs/dbraw/zinc/22/31/64/792223164.db2.gz VAMFMNZNGJYWSJ-CHWSQXEVSA-N 1 2 350.379 -1.370 20 0 FAADLO Cc1oncc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001194952896 792223158 /nfs/dbraw/zinc/22/31/58/792223158.db2.gz VAMFMNZNGJYWSJ-CHWSQXEVSA-N 1 2 350.379 -1.370 20 0 FAADLO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001194952937 792223574 /nfs/dbraw/zinc/22/35/74/792223574.db2.gz WYRUFMKGNUXVGY-IJLUTSLNSA-N 1 2 354.411 -2.390 20 0 FAADLO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001194952937 792223562 /nfs/dbraw/zinc/22/35/62/792223562.db2.gz WYRUFMKGNUXVGY-IJLUTSLNSA-N 1 2 354.411 -2.390 20 0 FAADLO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001194952939 792223319 /nfs/dbraw/zinc/22/33/19/792223319.db2.gz WYRUFMKGNUXVGY-QJPTWQEYSA-N 1 2 354.411 -2.390 20 0 FAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001194952939 792223312 /nfs/dbraw/zinc/22/33/12/792223312.db2.gz WYRUFMKGNUXVGY-QJPTWQEYSA-N 1 2 354.411 -2.390 20 0 FAADLO Cc1nocc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001194952976 792223342 /nfs/dbraw/zinc/22/33/42/792223342.db2.gz XFOZQBSRMURQCG-CHWSQXEVSA-N 1 2 350.379 -1.370 20 0 FAADLO Cc1nocc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001194952976 792223337 /nfs/dbraw/zinc/22/33/37/792223337.db2.gz XFOZQBSRMURQCG-CHWSQXEVSA-N 1 2 350.379 -1.370 20 0 FAADLO Cn1cnn(CCC(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]2O)c1=O ZINC001194953016 792223195 /nfs/dbraw/zinc/22/31/95/792223195.db2.gz YIQPUMZAJDSKFW-GRYCIOLGSA-N 1 2 352.395 -2.636 20 0 FAADLO Cn1cnn(CCC(=O)N[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]2O)c1=O ZINC001194953016 792223191 /nfs/dbraw/zinc/22/31/91/792223191.db2.gz YIQPUMZAJDSKFW-GRYCIOLGSA-N 1 2 352.395 -2.636 20 0 FAADLO Cn1cnn(CCC(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]2O)c1=O ZINC001194953028 792223270 /nfs/dbraw/zinc/22/32/70/792223270.db2.gz YIQPUMZAJDSKFW-IJLUTSLNSA-N 1 2 352.395 -2.636 20 0 FAADLO Cn1cnn(CCC(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]2O)c1=O ZINC001194953028 792223263 /nfs/dbraw/zinc/22/32/63/792223263.db2.gz YIQPUMZAJDSKFW-IJLUTSLNSA-N 1 2 352.395 -2.636 20 0 FAADLO Cn1cnn(CCC(=O)N[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2O)c1=O ZINC001194953133 792223119 /nfs/dbraw/zinc/22/31/19/792223119.db2.gz ZTMGSADJEXGWPD-VXGBXAGGSA-N 1 2 352.395 -2.588 20 0 FAADLO Cn1cnn(CCC(=O)N[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2O)c1=O ZINC001194953133 792223112 /nfs/dbraw/zinc/22/31/12/792223112.db2.gz ZTMGSADJEXGWPD-VXGBXAGGSA-N 1 2 352.395 -2.588 20 0 FAADLO Cc1nccc(CCC(=O)N[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]2O)n1 ZINC001194968302 792223434 /nfs/dbraw/zinc/22/34/34/792223434.db2.gz CEWYUXDWNOQLPL-ZIAGYGMSSA-N 1 2 371.463 -1.572 20 0 FAADLO Cc1nccc(CCC(=O)N[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]2O)n1 ZINC001194968302 792223425 /nfs/dbraw/zinc/22/34/25/792223425.db2.gz CEWYUXDWNOQLPL-ZIAGYGMSSA-N 1 2 371.463 -1.572 20 0 FAADLO COCC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001194968574 792223145 /nfs/dbraw/zinc/22/31/45/792223145.db2.gz JTGBJNSMNACYDQ-VXGBXAGGSA-N 1 2 351.469 -1.240 20 0 FAADLO COCC(C)(C)CC(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001194968574 792223141 /nfs/dbraw/zinc/22/31/41/792223141.db2.gz JTGBJNSMNACYDQ-VXGBXAGGSA-N 1 2 351.469 -1.240 20 0 FAADLO COCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC(F)F)C1 ZINC001194975477 792225760 /nfs/dbraw/zinc/22/57/60/792225760.db2.gz GURYORRUTDQXHG-IJLUTSLNSA-N 1 2 367.393 -1.029 20 0 FAADLO COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC(F)F)C1 ZINC001194975477 792225753 /nfs/dbraw/zinc/22/57/53/792225753.db2.gz GURYORRUTDQXHG-IJLUTSLNSA-N 1 2 367.393 -1.029 20 0 FAADLO COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC(F)F)C1 ZINC001194975478 792225672 /nfs/dbraw/zinc/22/56/72/792225672.db2.gz GURYORRUTDQXHG-QJPTWQEYSA-N 1 2 367.393 -1.029 20 0 FAADLO COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC(F)F)C1 ZINC001194975478 792225664 /nfs/dbraw/zinc/22/56/64/792225664.db2.gz GURYORRUTDQXHG-QJPTWQEYSA-N 1 2 367.393 -1.029 20 0 FAADLO O=C(CCCCc1c[nH]nn1)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001194976236 792225897 /nfs/dbraw/zinc/22/58/97/792225897.db2.gz WWHRRNYDYMPVIF-HZSPNIEDSA-N 1 2 350.423 -1.043 20 0 FAADLO O=C(CCCCc1c[nH]nn1)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001194976236 792225889 /nfs/dbraw/zinc/22/58/89/792225889.db2.gz WWHRRNYDYMPVIF-HZSPNIEDSA-N 1 2 350.423 -1.043 20 0 FAADLO O=C(CCCCc1c[nH]nn1)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001194976237 792225923 /nfs/dbraw/zinc/22/59/23/792225923.db2.gz WWHRRNYDYMPVIF-MGPQQGTHSA-N 1 2 350.423 -1.043 20 0 FAADLO O=C(CCCCc1c[nH]nn1)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001194976237 792225918 /nfs/dbraw/zinc/22/59/18/792225918.db2.gz WWHRRNYDYMPVIF-MGPQQGTHSA-N 1 2 350.423 -1.043 20 0 FAADLO CCC[C@H](C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)S(N)(=O)=O ZINC001194976268 792225559 /nfs/dbraw/zinc/22/55/59/792225559.db2.gz XWDXFCYTRYLOTL-IJLUTSLNSA-N 1 2 360.440 -2.103 20 0 FAADLO CCC[C@H](C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)S(N)(=O)=O ZINC001194976268 792225550 /nfs/dbraw/zinc/22/55/50/792225550.db2.gz XWDXFCYTRYLOTL-IJLUTSLNSA-N 1 2 360.440 -2.103 20 0 FAADLO CCC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)S(N)(=O)=O ZINC001194976269 792225595 /nfs/dbraw/zinc/22/55/95/792225595.db2.gz XWDXFCYTRYLOTL-UTUOFQBUSA-N 1 2 360.440 -2.103 20 0 FAADLO CCC[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)S(N)(=O)=O ZINC001194976269 792225587 /nfs/dbraw/zinc/22/55/87/792225587.db2.gz XWDXFCYTRYLOTL-UTUOFQBUSA-N 1 2 360.440 -2.103 20 0 FAADLO O=c1[nH]ccn2c(CNS(=O)(=O)CCC[NH+]3CCOCC3)nnc12 ZINC001194977353 792225736 /nfs/dbraw/zinc/22/57/36/792225736.db2.gz PDKHTGGRQMIUGR-UHFFFAOYSA-N 1 2 356.408 -1.441 20 0 FAADLO CCC[C@H](C(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1O)S(N)(=O)=O ZINC001194982141 792225425 /nfs/dbraw/zinc/22/54/25/792225425.db2.gz BAZWZLNGRPNLCM-JHJVBQTASA-N 1 2 359.452 -1.461 20 0 FAADLO CCC[C@@H](C(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1O)S(N)(=O)=O ZINC001194982142 792225797 /nfs/dbraw/zinc/22/57/97/792225797.db2.gz BAZWZLNGRPNLCM-UPJWGTAASA-N 1 2 359.452 -1.461 20 0 FAADLO CN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CCCCc3c[nH]nn3)C2)C1=O ZINC001194982730 792226894 /nfs/dbraw/zinc/22/68/94/792226894.db2.gz RGWARTVNLLUOEX-HZSPNIEDSA-N 1 2 350.423 -1.091 20 0 FAADLO CN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCCc3c[nH]nn3)C2)C1=O ZINC001194982730 792226889 /nfs/dbraw/zinc/22/68/89/792226889.db2.gz RGWARTVNLLUOEX-HZSPNIEDSA-N 1 2 350.423 -1.091 20 0 FAADLO CN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CCCCc3c[nH]nn3)C2)C1=O ZINC001194982731 792226834 /nfs/dbraw/zinc/22/68/34/792226834.db2.gz RGWARTVNLLUOEX-MGPQQGTHSA-N 1 2 350.423 -1.091 20 0 FAADLO CN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCCc3c[nH]nn3)C2)C1=O ZINC001194982731 792226827 /nfs/dbraw/zinc/22/68/27/792226827.db2.gz RGWARTVNLLUOEX-MGPQQGTHSA-N 1 2 350.423 -1.091 20 0 FAADLO O=C(NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCNC(=O)CC2)C1)C1CC1 ZINC001194987716 792227627 /nfs/dbraw/zinc/22/76/27/792227627.db2.gz BQNRFQQJZYNDMX-BFHYXJOUSA-N 1 2 352.435 -1.410 20 0 FAADLO O=C(NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCNC(=O)CC2)C1)C1CC1 ZINC001194987716 792227622 /nfs/dbraw/zinc/22/76/22/792227622.db2.gz BQNRFQQJZYNDMX-BFHYXJOUSA-N 1 2 352.435 -1.410 20 0 FAADLO O=C(NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCNC(=O)CC2)C1)C1CC1 ZINC001194987717 792227661 /nfs/dbraw/zinc/22/76/61/792227661.db2.gz BQNRFQQJZYNDMX-MGPQQGTHSA-N 1 2 352.435 -1.410 20 0 FAADLO O=C(NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCNC(=O)CC2)C1)C1CC1 ZINC001194987717 792227653 /nfs/dbraw/zinc/22/76/53/792227653.db2.gz BQNRFQQJZYNDMX-MGPQQGTHSA-N 1 2 352.435 -1.410 20 0 FAADLO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001194987726 792227864 /nfs/dbraw/zinc/22/78/64/792227864.db2.gz BVMNGIMKKUQTDO-GHMZBOCLSA-N 1 2 363.440 -3.272 20 0 FAADLO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001194987726 792227853 /nfs/dbraw/zinc/22/78/53/792227853.db2.gz BVMNGIMKKUQTDO-GHMZBOCLSA-N 1 2 363.440 -3.272 20 0 FAADLO CCN(CC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001194988081 792227945 /nfs/dbraw/zinc/22/79/45/792227945.db2.gz 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CC(C)(C)C(=O)NCCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001195158190 792236907 /nfs/dbraw/zinc/23/69/07/792236907.db2.gz RIWCGWBRCZUOEX-FRRDWIJNSA-N 1 2 354.451 -1.021 20 0 FAADLO CC(C)(C)C(=O)NCCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001195158191 792236597 /nfs/dbraw/zinc/23/65/97/792236597.db2.gz RIWCGWBRCZUOEX-JHJVBQTASA-N 1 2 354.451 -1.021 20 0 FAADLO CC(C)(C)C(=O)NCCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001195158191 792236590 /nfs/dbraw/zinc/23/65/90/792236590.db2.gz RIWCGWBRCZUOEX-JHJVBQTASA-N 1 2 354.451 -1.021 20 0 FAADLO CN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CCNC(=O)C(C)(C)C)C2)C1=O ZINC001195164354 792236390 /nfs/dbraw/zinc/23/63/90/792236390.db2.gz WNCUJJONNWEFSN-FRRDWIJNSA-N 1 2 354.451 -1.069 20 0 FAADLO CN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CCNC(=O)C(C)(C)C)C2)C1=O ZINC001195164354 792236382 /nfs/dbraw/zinc/23/63/82/792236382.db2.gz WNCUJJONNWEFSN-FRRDWIJNSA-N 1 2 354.451 -1.069 20 0 FAADLO CN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CCNC(=O)C(C)(C)C)C2)C1=O ZINC001195164355 792236673 /nfs/dbraw/zinc/23/66/73/792236673.db2.gz WNCUJJONNWEFSN-JHJVBQTASA-N 1 2 354.451 -1.069 20 0 FAADLO CN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CCNC(=O)C(C)(C)C)C2)C1=O ZINC001195164355 792236663 /nfs/dbraw/zinc/23/66/63/792236663.db2.gz WNCUJJONNWEFSN-JHJVBQTASA-N 1 2 354.451 -1.069 20 0 FAADLO C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001195164420 792236572 /nfs/dbraw/zinc/23/65/72/792236572.db2.gz XJRVAHZSTOQVFC-JHJVBQTASA-N 1 2 354.451 -1.069 20 0 FAADLO C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001195164420 792236562 /nfs/dbraw/zinc/23/65/62/792236562.db2.gz XJRVAHZSTOQVFC-JHJVBQTASA-N 1 2 354.451 -1.069 20 0 FAADLO C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001195164421 792236798 /nfs/dbraw/zinc/23/67/98/792236798.db2.gz XJRVAHZSTOQVFC-YNEHKIRRSA-N 1 2 354.451 -1.069 20 0 FAADLO C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001195164421 792236787 /nfs/dbraw/zinc/23/67/87/792236787.db2.gz XJRVAHZSTOQVFC-YNEHKIRRSA-N 1 2 354.451 -1.069 20 0 FAADLO CC(C)(C)C(=O)NCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001195172148 792237860 /nfs/dbraw/zinc/23/78/60/792237860.db2.gz IHENMEFDUAVFMD-CHWSQXEVSA-N 1 2 354.451 -1.021 20 0 FAADLO CC(C)(C)C(=O)NCCC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001195172148 792237850 /nfs/dbraw/zinc/23/78/50/792237850.db2.gz IHENMEFDUAVFMD-CHWSQXEVSA-N 1 2 354.451 -1.021 20 0 FAADLO CC(C)(C)C(=O)NCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001195172626 792237555 /nfs/dbraw/zinc/23/75/55/792237555.db2.gz SHUQGGUAXXTCJL-FRRDWIJNSA-N 1 2 354.451 -1.021 20 0 FAADLO CC(C)(C)C(=O)NCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001195172626 792237551 /nfs/dbraw/zinc/23/75/51/792237551.db2.gz SHUQGGUAXXTCJL-FRRDWIJNSA-N 1 2 354.451 -1.021 20 0 FAADLO CC(C)(C)C(=O)NCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001195172628 792237886 /nfs/dbraw/zinc/23/78/86/792237886.db2.gz SHUQGGUAXXTCJL-JHJVBQTASA-N 1 2 354.451 -1.021 20 0 FAADLO CC(C)(C)C(=O)NCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001195172628 792237874 /nfs/dbraw/zinc/23/78/74/792237874.db2.gz SHUQGGUAXXTCJL-JHJVBQTASA-N 1 2 354.451 -1.021 20 0 FAADLO CC(C)(C)C(=O)NCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001195172855 792237581 /nfs/dbraw/zinc/23/75/81/792237581.db2.gz VWQXQDWNOAXPTA-CHWSQXEVSA-N 1 2 354.451 -1.068 20 0 FAADLO CC(C)(C)C(=O)NCCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001195172855 792237575 /nfs/dbraw/zinc/23/75/75/792237575.db2.gz VWQXQDWNOAXPTA-CHWSQXEVSA-N 1 2 354.451 -1.068 20 0 FAADLO CS(=O)(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3n[nH]cc32)C1 ZINC001195181272 792235021 /nfs/dbraw/zinc/23/50/21/792235021.db2.gz IROMCNHEOCKMET-ZIAGYGMSSA-N 1 2 367.431 -1.113 20 0 FAADLO CS(=O)(=O)NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3n[nH]cc32)C1 ZINC001195181272 792235012 /nfs/dbraw/zinc/23/50/12/792235012.db2.gz IROMCNHEOCKMET-ZIAGYGMSSA-N 1 2 367.431 -1.113 20 0 FAADLO CS(=O)(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3c[nH]nc32)C1 ZINC001195181283 792235763 /nfs/dbraw/zinc/23/57/63/792235763.db2.gz JIACEWHVNYJHEJ-CHWSQXEVSA-N 1 2 367.431 -1.113 20 0 FAADLO CS(=O)(=O)NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3c[nH]nc32)C1 ZINC001195181283 792235754 /nfs/dbraw/zinc/23/57/54/792235754.db2.gz JIACEWHVNYJHEJ-CHWSQXEVSA-N 1 2 367.431 -1.113 20 0 FAADLO CCNC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C1 ZINC001195182367 792235677 /nfs/dbraw/zinc/23/56/77/792235677.db2.gz UYVVMNJKEFRDFN-VXGBXAGGSA-N 1 2 351.407 -1.692 20 0 FAADLO CCNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C1 ZINC001195182367 792235668 /nfs/dbraw/zinc/23/56/68/792235668.db2.gz UYVVMNJKEFRDFN-VXGBXAGGSA-N 1 2 351.407 -1.692 20 0 FAADLO Cc1noc(CCC(=O)N[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]2O)n1 ZINC001195189454 792235289 /nfs/dbraw/zinc/23/52/89/792235289.db2.gz CZQGJZRLOAQZEZ-GHMZBOCLSA-N 1 2 361.424 -1.979 20 0 FAADLO Cc1noc(CCC(=O)N[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]2O)n1 ZINC001195189454 792235281 /nfs/dbraw/zinc/23/52/81/792235281.db2.gz CZQGJZRLOAQZEZ-GHMZBOCLSA-N 1 2 361.424 -1.979 20 0 FAADLO Cc1noc(CCC(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]2O)n1 ZINC001195189482 792235080 /nfs/dbraw/zinc/23/50/80/792235080.db2.gz FGOQKUSQQKYVRB-FXBDTBDDSA-N 1 2 354.367 -1.945 20 0 FAADLO Cc1noc(CCC(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]2O)n1 ZINC001195189482 792235072 /nfs/dbraw/zinc/23/50/72/792235072.db2.gz FGOQKUSQQKYVRB-FXBDTBDDSA-N 1 2 354.367 -1.945 20 0 FAADLO Cc1noc(CCC(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]2O)n1 ZINC001195189483 792235347 /nfs/dbraw/zinc/23/53/47/792235347.db2.gz FGOQKUSQQKYVRB-SZEHBUNVSA-N 1 2 354.367 -1.945 20 0 FAADLO Cc1noc(CCC(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]2O)n1 ZINC001195189483 792235336 /nfs/dbraw/zinc/23/53/36/792235336.db2.gz FGOQKUSQQKYVRB-SZEHBUNVSA-N 1 2 354.367 -1.945 20 0 FAADLO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1O ZINC001195198072 792237360 /nfs/dbraw/zinc/23/73/60/792237360.db2.gz LDTZYPMRLWVNCW-GHMZBOCLSA-N 1 2 353.427 -1.014 20 0 FAADLO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1O ZINC001195198072 792237352 /nfs/dbraw/zinc/23/73/52/792237352.db2.gz LDTZYPMRLWVNCW-GHMZBOCLSA-N 1 2 353.427 -1.014 20 0 FAADLO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@@H+](CCCNC(=O)C(F)(F)F)C[C@H]1O ZINC001195198715 792237466 /nfs/dbraw/zinc/23/74/66/792237466.db2.gz YPPCLCBDFQCWNU-RKDXNWHRSA-N 1 2 364.328 -1.043 20 0 FAADLO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@H+](CCCNC(=O)C(F)(F)F)C[C@H]1O ZINC001195198715 792237455 /nfs/dbraw/zinc/23/74/55/792237455.db2.gz YPPCLCBDFQCWNU-RKDXNWHRSA-N 1 2 364.328 -1.043 20 0 FAADLO CN1C(=O)CC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001195205404 792238696 /nfs/dbraw/zinc/23/86/96/792238696.db2.gz ROCANACAWPZAHJ-IJLUTSLNSA-N 1 2 362.452 -2.292 20 0 FAADLO CN1C(=O)CC[C@@H]1CC(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001195205404 792238694 /nfs/dbraw/zinc/23/86/94/792238694.db2.gz ROCANACAWPZAHJ-IJLUTSLNSA-N 1 2 362.452 -2.292 20 0 FAADLO CN1C(=O)CC[C@H]1CC(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001195205405 792238550 /nfs/dbraw/zinc/23/85/50/792238550.db2.gz ROCANACAWPZAHJ-QJPTWQEYSA-N 1 2 362.452 -2.292 20 0 FAADLO CN1C(=O)CC[C@H]1CC(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001195205405 792238542 /nfs/dbraw/zinc/23/85/42/792238542.db2.gz ROCANACAWPZAHJ-QJPTWQEYSA-N 1 2 362.452 -2.292 20 0 FAADLO COc1nn(C)cc1C(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001195215588 792238999 /nfs/dbraw/zinc/23/89/99/792238999.db2.gz UJAJJYWWWOCWBT-CHWSQXEVSA-N 1 2 351.407 -1.270 20 0 FAADLO COc1nn(C)cc1C(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001195215588 792238992 /nfs/dbraw/zinc/23/89/92/792238992.db2.gz UJAJJYWWWOCWBT-CHWSQXEVSA-N 1 2 351.407 -1.270 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001195221824 792240132 /nfs/dbraw/zinc/24/01/32/792240132.db2.gz IIXJSTVMUHKQCZ-IVZWLZJFSA-N 1 2 356.383 -3.837 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001195221824 792240130 /nfs/dbraw/zinc/24/01/30/792240130.db2.gz IIXJSTVMUHKQCZ-IVZWLZJFSA-N 1 2 356.383 -3.837 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001195221825 792240217 /nfs/dbraw/zinc/24/02/17/792240217.db2.gz IIXJSTVMUHKQCZ-OPRDCNLKSA-N 1 2 356.383 -3.837 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001195221825 792240213 /nfs/dbraw/zinc/24/02/13/792240213.db2.gz IIXJSTVMUHKQCZ-OPRDCNLKSA-N 1 2 356.383 -3.837 20 0 FAADLO CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001195222176 792239938 /nfs/dbraw/zinc/23/99/38/792239938.db2.gz OCTRALDFMHHLEC-JHJVBQTASA-N 1 2 355.439 -2.506 20 0 FAADLO CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001195222176 792239929 /nfs/dbraw/zinc/23/99/29/792239929.db2.gz OCTRALDFMHHLEC-JHJVBQTASA-N 1 2 355.439 -2.506 20 0 FAADLO CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001195222177 792240061 /nfs/dbraw/zinc/24/00/61/792240061.db2.gz OCTRALDFMHHLEC-YNEHKIRRSA-N 1 2 355.439 -2.506 20 0 FAADLO CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001195222177 792240054 /nfs/dbraw/zinc/24/00/54/792240054.db2.gz OCTRALDFMHHLEC-YNEHKIRRSA-N 1 2 355.439 -2.506 20 0 FAADLO O=C(CN1CCNC(=O)C1)N[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1O ZINC001195223368 792240305 /nfs/dbraw/zinc/24/03/05/792240305.db2.gz ZDTQXHVYPRHFQP-GHMZBOCLSA-N 1 2 368.356 -1.842 20 0 FAADLO O=C(CN1CCNC(=O)C1)N[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1O ZINC001195223368 792240301 /nfs/dbraw/zinc/24/03/01/792240301.db2.gz 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CC(C)N(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC001195531534 792250783 /nfs/dbraw/zinc/25/07/83/792250783.db2.gz FGGLHZABHVMDPK-PBFPGSCMSA-N 1 2 354.451 -1.069 20 0 FAADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC001195531534 792250778 /nfs/dbraw/zinc/25/07/78/792250778.db2.gz FGGLHZABHVMDPK-PBFPGSCMSA-N 1 2 354.451 -1.069 20 0 FAADLO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC001195531536 792250469 /nfs/dbraw/zinc/25/04/69/792250469.db2.gz FGGLHZABHVMDPK-XNJGSVPQSA-N 1 2 354.451 -1.069 20 0 FAADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC001195531536 792250458 /nfs/dbraw/zinc/25/04/58/792250458.db2.gz FGGLHZABHVMDPK-XNJGSVPQSA-N 1 2 354.451 -1.069 20 0 FAADLO CCN(CC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC001195532754 792250913 /nfs/dbraw/zinc/25/09/13/792250913.db2.gz RXYSZNODXRUWMS-PBFPGSCMSA-N 1 2 354.451 -1.068 20 0 FAADLO CCN(CC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC001195532754 792250905 /nfs/dbraw/zinc/25/09/05/792250905.db2.gz RXYSZNODXRUWMS-PBFPGSCMSA-N 1 2 354.451 -1.068 20 0 FAADLO CCN(CC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC001195532755 792250545 /nfs/dbraw/zinc/25/05/45/792250545.db2.gz RXYSZNODXRUWMS-XNJGSVPQSA-N 1 2 354.451 -1.068 20 0 FAADLO CCN(CC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC001195532755 792250528 /nfs/dbraw/zinc/25/05/28/792250528.db2.gz RXYSZNODXRUWMS-XNJGSVPQSA-N 1 2 354.451 -1.068 20 0 FAADLO C[C@@]1(C(=O)N[C@@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]2O)CCC(=O)NC1 ZINC001195533336 792250943 /nfs/dbraw/zinc/25/09/43/792250943.db2.gz YRKVWNFCLWLUMR-PBFPGSCMSA-N 1 2 352.435 -1.410 20 0 FAADLO C[C@@]1(C(=O)N[C@@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]2O)CCC(=O)NC1 ZINC001195533336 792250932 /nfs/dbraw/zinc/25/09/32/792250932.db2.gz YRKVWNFCLWLUMR-PBFPGSCMSA-N 1 2 352.435 -1.410 20 0 FAADLO C[C@]1(C(=O)N[C@@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]2O)CCC(=O)NC1 ZINC001195533338 792250351 /nfs/dbraw/zinc/25/03/51/792250351.db2.gz YRKVWNFCLWLUMR-XNJGSVPQSA-N 1 2 352.435 -1.410 20 0 FAADLO C[C@]1(C(=O)N[C@@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]2O)CCC(=O)NC1 ZINC001195533338 792250345 /nfs/dbraw/zinc/25/03/45/792250345.db2.gz YRKVWNFCLWLUMR-XNJGSVPQSA-N 1 2 352.435 -1.410 20 0 FAADLO CN(CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1)S(C)(=O)=O ZINC001195561026 792252368 /nfs/dbraw/zinc/25/23/68/792252368.db2.gz CXRUGNNKCGZOLT-IJLUTSLNSA-N 1 2 362.452 -2.340 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1)S(C)(=O)=O ZINC001195561026 792252359 /nfs/dbraw/zinc/25/23/59/792252359.db2.gz CXRUGNNKCGZOLT-IJLUTSLNSA-N 1 2 362.452 -2.340 20 0 FAADLO CCOC1CC(CC(=O)N[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]2O)C1 ZINC001195561349 792252612 /nfs/dbraw/zinc/25/26/12/792252612.db2.gz LWJWAYOBPNWHAD-NWINJMCUSA-N 1 2 363.480 -1.098 20 0 FAADLO CCOC1CC(CC(=O)N[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]2O)C1 ZINC001195561349 792252602 /nfs/dbraw/zinc/25/26/02/792252602.db2.gz LWJWAYOBPNWHAD-NWINJMCUSA-N 1 2 363.480 -1.098 20 0 FAADLO CN(CC1CC1)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001195561406 792253137 /nfs/dbraw/zinc/25/31/37/792253137.db2.gz PEAJYRAAQVGRRN-MGPQQGTHSA-N 1 2 352.435 -1.363 20 0 FAADLO CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001195561406 792253130 /nfs/dbraw/zinc/25/31/30/792253130.db2.gz PEAJYRAAQVGRRN-MGPQQGTHSA-N 1 2 352.435 -1.363 20 0 FAADLO COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cnoc2)C1 ZINC001195561424 792252548 /nfs/dbraw/zinc/25/25/48/792252548.db2.gz QAAIJSPYGJVOPT-IACUBPJLSA-N 1 2 354.407 -1.080 20 0 FAADLO COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cnoc2)C1 ZINC001195561424 792252538 /nfs/dbraw/zinc/25/25/38/792252538.db2.gz QAAIJSPYGJVOPT-IACUBPJLSA-N 1 2 354.407 -1.080 20 0 FAADLO COCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cnoc2)C1 ZINC001195561425 792252574 /nfs/dbraw/zinc/25/25/74/792252574.db2.gz QAAIJSPYGJVOPT-MRVWCRGKSA-N 1 2 354.407 -1.080 20 0 FAADLO COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cnoc2)C1 ZINC001195561425 792252566 /nfs/dbraw/zinc/25/25/66/792252566.db2.gz QAAIJSPYGJVOPT-MRVWCRGKSA-N 1 2 354.407 -1.080 20 0 FAADLO CC(C)NC(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001195566964 792254347 /nfs/dbraw/zinc/25/43/47/792254347.db2.gz GBSFUXRYOUYYCY-JHJVBQTASA-N 1 2 355.439 -1.524 20 0 FAADLO CC(C)NC(=O)NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001195566964 792254336 /nfs/dbraw/zinc/25/43/36/792254336.db2.gz GBSFUXRYOUYYCY-JHJVBQTASA-N 1 2 355.439 -1.524 20 0 FAADLO CCN(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1)C1CC1 ZINC001195566976 792253986 /nfs/dbraw/zinc/25/39/86/792253986.db2.gz GIMLWWJCHABRFG-MGPQQGTHSA-N 1 2 352.435 -1.221 20 0 FAADLO CCN(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1)C1CC1 ZINC001195566976 792253981 /nfs/dbraw/zinc/25/39/81/792253981.db2.gz GIMLWWJCHABRFG-MGPQQGTHSA-N 1 2 352.435 -1.221 20 0 FAADLO C[C@H](C(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1O)c1cncnc1 ZINC001195581813 792251396 /nfs/dbraw/zinc/25/13/96/792251396.db2.gz WAJDTJFAQJOLCE-IACUBPJLSA-N 1 2 371.463 -1.367 20 0 FAADLO C[C@H](C(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1O)c1cncnc1 ZINC001195581813 792251387 /nfs/dbraw/zinc/25/13/87/792251387.db2.gz WAJDTJFAQJOLCE-IACUBPJLSA-N 1 2 371.463 -1.367 20 0 FAADLO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1O)c1cncnc1 ZINC001195581819 792251946 /nfs/dbraw/zinc/25/19/46/792251946.db2.gz WAJDTJFAQJOLCE-MRVWCRGKSA-N 1 2 371.463 -1.367 20 0 FAADLO C[C@@H](C(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1O)c1cncnc1 ZINC001195581819 792251941 /nfs/dbraw/zinc/25/19/41/792251941.db2.gz WAJDTJFAQJOLCE-MRVWCRGKSA-N 1 2 371.463 -1.367 20 0 FAADLO CC(=O)N[C@H](CC1CCC1)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001195587459 792251778 /nfs/dbraw/zinc/25/17/78/792251778.db2.gz KGPDRHOPZWJMHP-RBSFLKMASA-N 1 2 354.451 -1.069 20 0 FAADLO CC(=O)N[C@H](CC1CCC1)C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001195587459 792251772 /nfs/dbraw/zinc/25/17/72/792251772.db2.gz KGPDRHOPZWJMHP-RBSFLKMASA-N 1 2 354.451 -1.069 20 0 FAADLO CN(CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CCOC2)C1)S(C)(=O)=O ZINC001195593817 792251995 /nfs/dbraw/zinc/25/19/95/792251995.db2.gz ANOHMFQBVFNZAG-NQBHXWOUSA-N 1 2 353.416 -1.832 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CCOC2)C1)S(C)(=O)=O ZINC001195593817 792251987 /nfs/dbraw/zinc/25/19/87/792251987.db2.gz ANOHMFQBVFNZAG-NQBHXWOUSA-N 1 2 353.416 -1.832 20 0 FAADLO CN(CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CCOC2)C1)S(C)(=O)=O ZINC001195593818 792251487 /nfs/dbraw/zinc/25/14/87/792251487.db2.gz ANOHMFQBVFNZAG-WZRBSPASSA-N 1 2 353.416 -1.832 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CCOC2)C1)S(C)(=O)=O ZINC001195593818 792251479 /nfs/dbraw/zinc/25/14/79/792251479.db2.gz ANOHMFQBVFNZAG-WZRBSPASSA-N 1 2 353.416 -1.832 20 0 FAADLO COCCOCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001195594752 792253003 /nfs/dbraw/zinc/25/30/03/792253003.db2.gz VCLKSPNLKNOQLF-BZUAXINKSA-N 1 2 359.467 -1.080 20 0 FAADLO COCCOCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001195594752 792252996 /nfs/dbraw/zinc/25/29/96/792252996.db2.gz VCLKSPNLKNOQLF-BZUAXINKSA-N 1 2 359.467 -1.080 20 0 FAADLO COCCOCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001195594756 792252435 /nfs/dbraw/zinc/25/24/35/792252435.db2.gz VCLKSPNLKNOQLF-OAGGEKHMSA-N 1 2 359.467 -1.080 20 0 FAADLO COCCOCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001195594756 792252428 /nfs/dbraw/zinc/25/24/28/792252428.db2.gz VCLKSPNLKNOQLF-OAGGEKHMSA-N 1 2 359.467 -1.080 20 0 FAADLO Cc1ncc(C(=O)N[C@@H]2C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]2O)n1C ZINC001195601999 792252788 /nfs/dbraw/zinc/25/27/88/792252788.db2.gz NZJCSXWOHITDJD-DGCLKSJQSA-N 1 2 359.452 -1.605 20 0 FAADLO Cc1ncc(C(=O)N[C@@H]2C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]2O)n1C ZINC001195601999 792252784 /nfs/dbraw/zinc/25/27/84/792252784.db2.gz NZJCSXWOHITDJD-DGCLKSJQSA-N 1 2 359.452 -1.605 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ncccc2F)C1 ZINC001195609282 792256435 /nfs/dbraw/zinc/25/64/35/792256435.db2.gz SBLBNZCNBVKGFC-GGZOMVNGSA-N 1 2 353.354 -1.492 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ncccc2F)C1 ZINC001195609282 792256425 /nfs/dbraw/zinc/25/64/25/792256425.db2.gz SBLBNZCNBVKGFC-GGZOMVNGSA-N 1 2 353.354 -1.492 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ncccc2F)C1 ZINC001195609285 792256857 /nfs/dbraw/zinc/25/68/57/792256857.db2.gz SBLBNZCNBVKGFC-XXILOJSOSA-N 1 2 353.354 -1.492 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ncccc2F)C1 ZINC001195609285 792256852 /nfs/dbraw/zinc/25/68/52/792256852.db2.gz SBLBNZCNBVKGFC-XXILOJSOSA-N 1 2 353.354 -1.492 20 0 FAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3nn[nH]c32)C1 ZINC001195640118 792255446 /nfs/dbraw/zinc/25/54/46/792255446.db2.gz ASXFMMLHZAUQIH-CYZMBNFOSA-N 1 2 350.423 -1.136 20 0 FAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3nn[nH]c32)C1 ZINC001195640118 792255436 /nfs/dbraw/zinc/25/54/36/792255436.db2.gz ASXFMMLHZAUQIH-CYZMBNFOSA-N 1 2 350.423 -1.136 20 0 FAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3nn[nH]c32)C1 ZINC001195640121 792254893 /nfs/dbraw/zinc/25/48/93/792254893.db2.gz ASXFMMLHZAUQIH-RAIGVLPGSA-N 1 2 350.423 -1.136 20 0 FAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3nn[nH]c32)C1 ZINC001195640121 792254880 /nfs/dbraw/zinc/25/48/80/792254880.db2.gz ASXFMMLHZAUQIH-RAIGVLPGSA-N 1 2 350.423 -1.136 20 0 FAADLO 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NC(=O)C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2Cl)C[C@H]1O ZINC001195725669 792258679 /nfs/dbraw/zinc/25/86/79/792258679.db2.gz MLHKEFKVFPJZRG-YUSALJHKSA-N 1 2 357.794 -1.274 20 0 FAADLO NC(=O)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2Cl)C[C@H]1O ZINC001195725669 792258671 /nfs/dbraw/zinc/25/86/71/792258671.db2.gz MLHKEFKVFPJZRG-YUSALJHKSA-N 1 2 357.794 -1.274 20 0 FAADLO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001195745925 792260758 /nfs/dbraw/zinc/26/07/58/792260758.db2.gz ARJKBJBDEDSLNF-GMTAPVOTSA-N 1 2 350.441 -2.307 20 0 FAADLO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001195745925 792260755 /nfs/dbraw/zinc/26/07/55/792260755.db2.gz ARJKBJBDEDSLNF-GMTAPVOTSA-N 1 2 350.441 -2.307 20 0 FAADLO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001195745926 792261038 /nfs/dbraw/zinc/26/10/38/792261038.db2.gz ARJKBJBDEDSLNF-HBNTYKKESA-N 1 2 350.441 -2.307 20 0 FAADLO 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/nfs/dbraw/zinc/26/09/06/792260906.db2.gz CGBOPITZUQBLNB-IJLUTSLNSA-N 1 2 362.452 -2.163 20 0 FAADLO CCN(CC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001195746127 792260994 /nfs/dbraw/zinc/26/09/94/792260994.db2.gz GKHSFNWWOKHDKZ-VXGBXAGGSA-N 1 2 364.468 -1.915 20 0 FAADLO CCN(CC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001195746127 792260986 /nfs/dbraw/zinc/26/09/86/792260986.db2.gz GKHSFNWWOKHDKZ-VXGBXAGGSA-N 1 2 364.468 -1.915 20 0 FAADLO NS(=O)(=O)CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001195746205 792262333 /nfs/dbraw/zinc/26/23/33/792262333.db2.gz HZCAPSJVPNMUNG-VXGBXAGGSA-N 1 2 362.452 -2.161 20 0 FAADLO NS(=O)(=O)CCCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001195746205 792262324 /nfs/dbraw/zinc/26/23/24/792262324.db2.gz HZCAPSJVPNMUNG-VXGBXAGGSA-N 1 2 362.452 -2.161 20 0 FAADLO NS(=O)(=O)CCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001195746264 792261737 /nfs/dbraw/zinc/26/17/37/792261737.db2.gz 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C[C@H](c1cnccn1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001195747107 792261925 /nfs/dbraw/zinc/26/19/25/792261925.db2.gz PMDRJIXNBJBOJL-RAIGVLPGSA-N 1 2 357.436 -1.232 20 0 FAADLO Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCCS(N)(=O)=O)C2)cn1 ZINC001195747191 792261869 /nfs/dbraw/zinc/26/18/69/792261869.db2.gz QVHOLEMGONLCGS-CHWSQXEVSA-N 1 2 357.436 -1.485 20 0 FAADLO Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCS(N)(=O)=O)C2)cn1 ZINC001195747191 792261861 /nfs/dbraw/zinc/26/18/61/792261861.db2.gz QVHOLEMGONLCGS-CHWSQXEVSA-N 1 2 357.436 -1.485 20 0 FAADLO Cc1nccnc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001195747195 792261786 /nfs/dbraw/zinc/26/17/86/792261786.db2.gz RCOSDBFLNPLXHY-CHWSQXEVSA-N 1 2 357.436 -1.485 20 0 FAADLO Cc1nccnc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001195747195 792261777 /nfs/dbraw/zinc/26/17/77/792261777.db2.gz RCOSDBFLNPLXHY-CHWSQXEVSA-N 1 2 357.436 -1.485 20 0 FAADLO CC(C)(C)NC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001195747561 792263233 /nfs/dbraw/zinc/26/32/33/792263233.db2.gz XSBRAKJFJXFDOX-GHMZBOCLSA-N 1 2 364.468 -1.869 20 0 FAADLO CC(C)(C)NC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001195747561 792263226 /nfs/dbraw/zinc/26/32/26/792263226.db2.gz XSBRAKJFJXFDOX-GHMZBOCLSA-N 1 2 364.468 -1.869 20 0 FAADLO CC(C)NC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001195747840 792263344 /nfs/dbraw/zinc/26/33/44/792263344.db2.gz ZGJWPUCJXAWIFA-GHMZBOCLSA-N 1 2 350.441 -2.259 20 0 FAADLO CC(C)NC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001195747840 792263339 /nfs/dbraw/zinc/26/33/39/792263339.db2.gz ZGJWPUCJXAWIFA-GHMZBOCLSA-N 1 2 350.441 -2.259 20 0 FAADLO CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001195752965 792262633 /nfs/dbraw/zinc/26/26/33/792262633.db2.gz AFNAIQQQSXQRBF-IJLUTSLNSA-N 1 2 364.468 -1.869 20 0 FAADLO CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001195752965 792262628 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Cn1ncc(CCC(=O)N[C@@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]2O)n1 ZINC001196234173 792281873 /nfs/dbraw/zinc/28/18/73/792281873.db2.gz BBTMZDVUDCEFSG-CHWSQXEVSA-N 1 2 352.439 -1.176 20 0 FAADLO Cn1ncc(CCC(=O)N[C@@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@H]2O)n1 ZINC001196234173 792281862 /nfs/dbraw/zinc/28/18/62/792281862.db2.gz BBTMZDVUDCEFSG-CHWSQXEVSA-N 1 2 352.439 -1.176 20 0 FAADLO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cnn(C)n2)C1 ZINC001196234431 792281926 /nfs/dbraw/zinc/28/19/26/792281926.db2.gz GEFYFFREZULYEL-ZIAGYGMSSA-N 1 2 352.439 -1.224 20 0 FAADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cnn(C)n2)C1 ZINC001196234431 792281915 /nfs/dbraw/zinc/28/19/15/792281915.db2.gz GEFYFFREZULYEL-ZIAGYGMSSA-N 1 2 352.439 -1.224 20 0 FAADLO Cc1ccn(CC(=O)N[C@@H]2C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]2O)n1 ZINC001196234467 792282273 /nfs/dbraw/zinc/28/22/73/792282273.db2.gz GRZGVXBCCZBWMW-CHWSQXEVSA-N 1 2 359.452 -1.756 20 0 FAADLO Cc1ccn(CC(=O)N[C@@H]2C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]2O)n1 ZINC001196234467 792282266 /nfs/dbraw/zinc/28/22/66/792282266.db2.gz GRZGVXBCCZBWMW-CHWSQXEVSA-N 1 2 359.452 -1.756 20 0 FAADLO Cn1ncc(CCC(=O)N[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]2O)n1 ZINC001196234693 792282191 /nfs/dbraw/zinc/28/21/91/792282191.db2.gz KDVRFSOTGZUGLK-GRYCIOLGSA-N 1 2 350.379 -2.286 20 0 FAADLO Cn1ncc(CCC(=O)N[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]2O)n1 ZINC001196234693 792282181 /nfs/dbraw/zinc/28/21/81/792282181.db2.gz KDVRFSOTGZUGLK-GRYCIOLGSA-N 1 2 350.379 -2.286 20 0 FAADLO Cn1ncc(CCC(=O)N[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]2O)n1 ZINC001196234694 792281562 /nfs/dbraw/zinc/28/15/62/792281562.db2.gz KDVRFSOTGZUGLK-IJLUTSLNSA-N 1 2 350.379 -2.286 20 0 FAADLO Cn1ncc(CCC(=O)N[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]2O)n1 ZINC001196234694 792281554 /nfs/dbraw/zinc/28/15/54/792281554.db2.gz KDVRFSOTGZUGLK-IJLUTSLNSA-N 1 2 350.379 -2.286 20 0 FAADLO Cn1ncc(CCC(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]2O)n1 ZINC001196235358 792282048 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ZGGLIVOXEBEAFC-ZIAGYGMSSA-N 1 2 352.439 -1.223 20 0 FAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1O ZINC001196250804 792281097 /nfs/dbraw/zinc/28/10/97/792281097.db2.gz BSGXSGQSKLFZFX-DNRKLUKYSA-N 1 2 350.379 -2.120 20 0 FAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1O ZINC001196251300 792280346 /nfs/dbraw/zinc/28/03/46/792280346.db2.gz HHMZAHOZXWSEGD-HKUMRIAESA-N 1 2 371.463 -1.766 20 0 FAADLO CN(CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1)S(C)(=O)=O ZINC001196283342 792283060 /nfs/dbraw/zinc/28/30/60/792283060.db2.gz DONKGICYNKLPJT-KSTCHIGDSA-N 1 2 361.464 -1.393 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1)S(C)(=O)=O ZINC001196283342 792283050 /nfs/dbraw/zinc/28/30/50/792283050.db2.gz DONKGICYNKLPJT-KSTCHIGDSA-N 1 2 361.464 -1.393 20 0 FAADLO CCc1ccc(CC(=O)N[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]2O)nc1 ZINC001196283545 792282711 /nfs/dbraw/zinc/28/27/11/792282711.db2.gz 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COCCOC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cnn[nH]2)C1 ZINC001196314860 792283259 /nfs/dbraw/zinc/28/32/59/792283259.db2.gz ZJAAQEACFUKXHD-MGPQQGTHSA-N 1 2 357.411 -2.078 20 0 FAADLO COCCOC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cnn[nH]2)C1 ZINC001196314860 792283257 /nfs/dbraw/zinc/28/32/57/792283257.db2.gz ZJAAQEACFUKXHD-MGPQQGTHSA-N 1 2 357.411 -2.078 20 0 FAADLO Cn1cc([C@@H]2C[C@H]2C(=O)N[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]2O)cn1 ZINC001196314864 792283382 /nfs/dbraw/zinc/28/33/82/792283382.db2.gz ZMFREJPNRCBABO-REWJHTLYSA-N 1 2 371.463 -1.766 20 0 FAADLO Cn1cc([C@@H]2C[C@H]2C(=O)N[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]2O)cn1 ZINC001196314864 792283379 /nfs/dbraw/zinc/28/33/79/792283379.db2.gz ZMFREJPNRCBABO-REWJHTLYSA-N 1 2 371.463 -1.766 20 0 FAADLO O=C(CCc1c[nH]nn1)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001196320528 792285261 /nfs/dbraw/zinc/28/52/61/792285261.db2.gz JXLBFGPQWBONOJ-VXGBXAGGSA-N 1 2 350.379 -1.952 20 0 FAADLO O=C(CCc1c[nH]nn1)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001196320528 792285257 /nfs/dbraw/zinc/28/52/57/792285257.db2.gz JXLBFGPQWBONOJ-VXGBXAGGSA-N 1 2 350.379 -1.952 20 0 FAADLO O=C(CCc1cn[nH]n1)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001196320528 792285250 /nfs/dbraw/zinc/28/52/50/792285250.db2.gz JXLBFGPQWBONOJ-VXGBXAGGSA-N 1 2 350.379 -1.952 20 0 FAADLO O=C(CCc1cn[nH]n1)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001196320528 792285240 /nfs/dbraw/zinc/28/52/40/792285240.db2.gz JXLBFGPQWBONOJ-VXGBXAGGSA-N 1 2 350.379 -1.952 20 0 FAADLO O=C(CCc1c[nH]nn1)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001196320544 792284643 /nfs/dbraw/zinc/28/46/43/792284643.db2.gz KDOQWDUHTVFCPU-GHMZBOCLSA-N 1 2 351.367 -2.550 20 0 FAADLO O=C(CCc1c[nH]nn1)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001196320544 792284633 /nfs/dbraw/zinc/28/46/33/792284633.db2.gz KDOQWDUHTVFCPU-GHMZBOCLSA-N 1 2 351.367 -2.550 20 0 FAADLO O=C(CCc1cn[nH]n1)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001196320544 792284627 /nfs/dbraw/zinc/28/46/27/792284627.db2.gz KDOQWDUHTVFCPU-GHMZBOCLSA-N 1 2 351.367 -2.550 20 0 FAADLO O=C(CCc1cn[nH]n1)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001196320544 792284619 /nfs/dbraw/zinc/28/46/19/792284619.db2.gz KDOQWDUHTVFCPU-GHMZBOCLSA-N 1 2 351.367 -2.550 20 0 FAADLO CC(C)COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cnn[nH]2)C1 ZINC001196321287 792285177 /nfs/dbraw/zinc/28/51/77/792285177.db2.gz VTBVNOLZEXJQFG-RBSFLKMASA-N 1 2 355.439 -1.068 20 0 FAADLO CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cnn[nH]2)C1 ZINC001196321287 792285168 /nfs/dbraw/zinc/28/51/68/792285168.db2.gz VTBVNOLZEXJQFG-RBSFLKMASA-N 1 2 355.439 -1.068 20 0 FAADLO CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cnn[nH]2)C1 ZINC001196321291 792285090 /nfs/dbraw/zinc/28/50/90/792285090.db2.gz VTBVNOLZEXJQFG-RRFJBIMHSA-N 1 2 355.439 -1.068 20 0 FAADLO CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cnn[nH]2)C1 ZINC001196321291 792285082 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QZNJNVNUSCNSIQ-RBSFLKMASA-N 1 2 354.451 -1.069 20 0 FAADLO CC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1O ZINC001196339500 792286014 /nfs/dbraw/zinc/28/60/14/792286014.db2.gz QZNJNVNUSCNSIQ-RBSFLKMASA-N 1 2 354.451 -1.069 20 0 FAADLO CC[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1O ZINC001196339501 792285768 /nfs/dbraw/zinc/28/57/68/792285768.db2.gz QZNJNVNUSCNSIQ-RRFJBIMHSA-N 1 2 354.451 -1.069 20 0 FAADLO CC[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1O ZINC001196339501 792285763 /nfs/dbraw/zinc/28/57/63/792285763.db2.gz QZNJNVNUSCNSIQ-RRFJBIMHSA-N 1 2 354.451 -1.069 20 0 FAADLO CC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001196340115 792286267 /nfs/dbraw/zinc/28/62/67/792286267.db2.gz WPEMWGOJWJBASG-IJLUTSLNSA-N 1 2 350.441 -2.388 20 0 FAADLO CC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001196340115 792286260 /nfs/dbraw/zinc/28/62/60/792286260.db2.gz WPEMWGOJWJBASG-IJLUTSLNSA-N 1 2 350.441 -2.388 20 0 FAADLO CC[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001196340125 792285928 /nfs/dbraw/zinc/28/59/28/792285928.db2.gz WPEMWGOJWJBASG-QJPTWQEYSA-N 1 2 350.441 -2.388 20 0 FAADLO CC[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001196340125 792285921 /nfs/dbraw/zinc/28/59/21/792285921.db2.gz WPEMWGOJWJBASG-QJPTWQEYSA-N 1 2 350.441 -2.388 20 0 FAADLO CC[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001196340275 792286143 /nfs/dbraw/zinc/28/61/43/792286143.db2.gz XOFNSRVXVXHQGR-BFHYXJOUSA-N 1 2 356.423 -2.079 20 0 FAADLO CC[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001196340275 792286132 /nfs/dbraw/zinc/28/61/32/792286132.db2.gz XOFNSRVXVXHQGR-BFHYXJOUSA-N 1 2 356.423 -2.079 20 0 FAADLO CC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001196340276 792285838 /nfs/dbraw/zinc/28/58/38/792285838.db2.gz XOFNSRVXVXHQGR-MGPQQGTHSA-N 1 2 356.423 -2.079 20 0 FAADLO CC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001196340276 792285833 /nfs/dbraw/zinc/28/58/33/792285833.db2.gz XOFNSRVXVXHQGR-MGPQQGTHSA-N 1 2 356.423 -2.079 20 0 FAADLO CC[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)C)C[C@H]1O ZINC001196345327 792285738 /nfs/dbraw/zinc/28/57/38/792285738.db2.gz GGSIOANIKATETI-BFHYXJOUSA-N 1 2 357.455 -1.230 20 0 FAADLO CC[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)C)C[C@H]1O ZINC001196345327 792285734 /nfs/dbraw/zinc/28/57/34/792285734.db2.gz GGSIOANIKATETI-BFHYXJOUSA-N 1 2 357.455 -1.230 20 0 FAADLO CC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)C)C[C@H]1O ZINC001196345331 792285864 /nfs/dbraw/zinc/28/58/64/792285864.db2.gz GGSIOANIKATETI-MGPQQGTHSA-N 1 2 357.455 -1.230 20 0 FAADLO CC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)C)C[C@H]1O ZINC001196345331 792285860 /nfs/dbraw/zinc/28/58/60/792285860.db2.gz GGSIOANIKATETI-MGPQQGTHSA-N 1 2 357.455 -1.230 20 0 FAADLO CC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001196345481 792287038 /nfs/dbraw/zinc/28/70/38/792287038.db2.gz IQQYGXIAOHMOAI-JHJVBQTASA-N 1 2 364.468 -2.046 20 0 FAADLO CC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001196345481 792287033 /nfs/dbraw/zinc/28/70/33/792287033.db2.gz IQQYGXIAOHMOAI-JHJVBQTASA-N 1 2 364.468 -2.046 20 0 FAADLO CC[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001196345483 792287291 /nfs/dbraw/zinc/28/72/91/792287291.db2.gz IQQYGXIAOHMOAI-YNEHKIRRSA-N 1 2 364.468 -2.046 20 0 FAADLO CC[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001196345483 792287284 /nfs/dbraw/zinc/28/72/84/792287284.db2.gz IQQYGXIAOHMOAI-YNEHKIRRSA-N 1 2 364.468 -2.046 20 0 FAADLO CN(CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C3CC3)n[nH]2)C1)S(C)(=O)=O ZINC001196352802 792286975 /nfs/dbraw/zinc/28/69/75/792286975.db2.gz XTHPKKPWWRAHGI-ZIAGYGMSSA-N 1 2 371.463 -1.047 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C3CC3)n[nH]2)C1)S(C)(=O)=O ZINC001196352802 792286970 /nfs/dbraw/zinc/28/69/70/792286970.db2.gz XTHPKKPWWRAHGI-ZIAGYGMSSA-N 1 2 371.463 -1.047 20 0 FAADLO CCS(=O)(=O)NCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnnc2)C1 ZINC001196376554 792287466 /nfs/dbraw/zinc/28/74/66/792287466.db2.gz ICNPONZNXUKADN-CHWSQXEVSA-N 1 2 357.436 -1.419 20 0 FAADLO CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnnc2)C1 ZINC001196376554 792287459 /nfs/dbraw/zinc/28/74/59/792287459.db2.gz ICNPONZNXUKADN-CHWSQXEVSA-N 1 2 357.436 -1.419 20 0 FAADLO Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]2O)c(=O)[nH]1 ZINC001196415582 792287801 /nfs/dbraw/zinc/28/78/01/792287801.db2.gz KWCUWUBOCACVNF-FBIMIBRVSA-N 1 2 351.363 -1.546 20 0 FAADLO Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]2O)c(=O)[nH]1 ZINC001196415582 792287792 /nfs/dbraw/zinc/28/77/92/792287792.db2.gz KWCUWUBOCACVNF-FBIMIBRVSA-N 1 2 351.363 -1.546 20 0 FAADLO Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]2O)c(=O)[nH]1 ZINC001196415585 792287977 /nfs/dbraw/zinc/28/79/77/792287977.db2.gz KWCUWUBOCACVNF-JMJZKYOTSA-N 1 2 351.363 -1.546 20 0 FAADLO Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]2O)c(=O)[nH]1 ZINC001196415585 792287966 /nfs/dbraw/zinc/28/79/66/792287966.db2.gz KWCUWUBOCACVNF-JMJZKYOTSA-N 1 2 351.363 -1.546 20 0 FAADLO Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]2O)c(=O)[nH]1 ZINC001196415872 792287933 /nfs/dbraw/zinc/28/79/33/792287933.db2.gz PMPMDZSKQNUAGZ-VXGBXAGGSA-N 1 2 358.420 -1.580 20 0 FAADLO Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]2O)c(=O)[nH]1 ZINC001196415872 792287923 /nfs/dbraw/zinc/28/79/23/792287923.db2.gz PMPMDZSKQNUAGZ-VXGBXAGGSA-N 1 2 358.420 -1.580 20 0 FAADLO Cc1nccnc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001196420375 792288501 /nfs/dbraw/zinc/28/85/01/792288501.db2.gz AHTYBKNLSKKXFI-CYZMBNFOSA-N 1 2 357.436 -1.616 20 0 FAADLO Cc1nccnc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001196420375 792288491 /nfs/dbraw/zinc/28/84/91/792288491.db2.gz AHTYBKNLSKKXFI-CYZMBNFOSA-N 1 2 357.436 -1.616 20 0 FAADLO Cc1nccnc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001196420377 792288408 /nfs/dbraw/zinc/28/84/08/792288408.db2.gz AHTYBKNLSKKXFI-RAIGVLPGSA-N 1 2 357.436 -1.616 20 0 FAADLO Cc1nccnc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001196420377 792288398 /nfs/dbraw/zinc/28/83/98/792288398.db2.gz AHTYBKNLSKKXFI-RAIGVLPGSA-N 1 2 357.436 -1.616 20 0 FAADLO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1O ZINC001196420488 792288176 /nfs/dbraw/zinc/28/81/76/792288176.db2.gz DVFRISUIBGYDOP-MVWJERBFSA-N 1 2 362.452 -2.294 20 0 FAADLO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1O ZINC001196420488 792288169 /nfs/dbraw/zinc/28/81/69/792288169.db2.gz DVFRISUIBGYDOP-MVWJERBFSA-N 1 2 362.452 -2.294 20 0 FAADLO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1O ZINC001196420490 792288534 /nfs/dbraw/zinc/28/85/34/792288534.db2.gz DVFRISUIBGYDOP-YUSALJHKSA-N 1 2 362.452 -2.294 20 0 FAADLO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1O ZINC001196420490 792288523 /nfs/dbraw/zinc/28/85/23/792288523.db2.gz DVFRISUIBGYDOP-YUSALJHKSA-N 1 2 362.452 -2.294 20 0 FAADLO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001196421126 792288216 /nfs/dbraw/zinc/28/82/16/792288216.db2.gz KKSVVTPDRSOVIO-MVWJERBFSA-N 1 2 362.452 -2.388 20 0 FAADLO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001196421126 792288209 /nfs/dbraw/zinc/28/82/09/792288209.db2.gz KKSVVTPDRSOVIO-MVWJERBFSA-N 1 2 362.452 -2.388 20 0 FAADLO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001196421127 792288196 /nfs/dbraw/zinc/28/81/96/792288196.db2.gz KKSVVTPDRSOVIO-YUSALJHKSA-N 1 2 362.452 -2.388 20 0 FAADLO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001196421127 792288190 /nfs/dbraw/zinc/28/81/90/792288190.db2.gz KKSVVTPDRSOVIO-YUSALJHKSA-N 1 2 362.452 -2.388 20 0 FAADLO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001196421152 792288266 /nfs/dbraw/zinc/28/82/66/792288266.db2.gz KVUPBIBGARJLTA-IJLUTSLNSA-N 1 2 362.452 -2.292 20 0 FAADLO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001196421152 792288262 /nfs/dbraw/zinc/28/82/62/792288262.db2.gz KVUPBIBGARJLTA-IJLUTSLNSA-N 1 2 362.452 -2.292 20 0 FAADLO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001196421154 792288669 /nfs/dbraw/zinc/28/86/69/792288669.db2.gz KVUPBIBGARJLTA-QJPTWQEYSA-N 1 2 362.452 -2.292 20 0 FAADLO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001196421154 792288660 /nfs/dbraw/zinc/28/86/60/792288660.db2.gz KVUPBIBGARJLTA-QJPTWQEYSA-N 1 2 362.452 -2.292 20 0 FAADLO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001196428845 792289629 /nfs/dbraw/zinc/28/96/29/792289629.db2.gz BYGCAVSVJWKNNN-IJLUTSLNSA-N 1 2 364.468 -2.048 20 0 FAADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001196428845 792289622 /nfs/dbraw/zinc/28/96/22/792289622.db2.gz BYGCAVSVJWKNNN-IJLUTSLNSA-N 1 2 364.468 -2.048 20 0 FAADLO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001196428846 792289796 /nfs/dbraw/zinc/28/97/96/792289796.db2.gz BYGCAVSVJWKNNN-QJPTWQEYSA-N 1 2 364.468 -2.048 20 0 FAADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001196428846 792289785 /nfs/dbraw/zinc/28/97/85/792289785.db2.gz BYGCAVSVJWKNNN-QJPTWQEYSA-N 1 2 364.468 -2.048 20 0 FAADLO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1O ZINC001196428860 792289582 /nfs/dbraw/zinc/28/95/82/792289582.db2.gz CMZJDOWPHLQSSC-GMTAPVOTSA-N 1 2 364.468 -2.000 20 0 FAADLO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1O ZINC001196428860 792289576 /nfs/dbraw/zinc/28/95/76/792289576.db2.gz CMZJDOWPHLQSSC-GMTAPVOTSA-N 1 2 364.468 -2.000 20 0 FAADLO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1O ZINC001196428861 792289873 /nfs/dbraw/zinc/28/98/73/792289873.db2.gz CMZJDOWPHLQSSC-HBNTYKKESA-N 1 2 364.468 -2.000 20 0 FAADLO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1O ZINC001196428861 792289863 /nfs/dbraw/zinc/28/98/63/792289863.db2.gz CMZJDOWPHLQSSC-HBNTYKKESA-N 1 2 364.468 -2.000 20 0 FAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001196429149 792289900 /nfs/dbraw/zinc/28/99/00/792289900.db2.gz GYGRCKDBELFXAP-GMTAPVOTSA-N 1 2 350.441 -2.436 20 0 FAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001196429149 792289891 /nfs/dbraw/zinc/28/98/91/792289891.db2.gz GYGRCKDBELFXAP-GMTAPVOTSA-N 1 2 350.441 -2.436 20 0 FAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001196429150 792289559 /nfs/dbraw/zinc/28/95/59/792289559.db2.gz GYGRCKDBELFXAP-HBNTYKKESA-N 1 2 350.441 -2.436 20 0 FAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001196429150 792289558 /nfs/dbraw/zinc/28/95/58/792289558.db2.gz GYGRCKDBELFXAP-HBNTYKKESA-N 1 2 350.441 -2.436 20 0 FAADLO Cc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001196429151 792289254 /nfs/dbraw/zinc/28/92/54/792289254.db2.gz HAYPQTKGVHZAKA-OASPWFOLSA-N 1 2 360.436 -1.110 20 0 FAADLO Cc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001196429151 792289243 /nfs/dbraw/zinc/28/92/43/792289243.db2.gz HAYPQTKGVHZAKA-OASPWFOLSA-N 1 2 360.436 -1.110 20 0 FAADLO Cc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001196429152 792289449 /nfs/dbraw/zinc/28/94/49/792289449.db2.gz HAYPQTKGVHZAKA-ZWKOPEQDSA-N 1 2 360.436 -1.110 20 0 FAADLO Cc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001196429152 792289441 /nfs/dbraw/zinc/28/94/41/792289441.db2.gz HAYPQTKGVHZAKA-ZWKOPEQDSA-N 1 2 360.436 -1.110 20 0 FAADLO Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)C2)ncn1 ZINC001196429462 792289325 /nfs/dbraw/zinc/28/93/25/792289325.db2.gz MGUOKGHOFUIXFM-CYZMBNFOSA-N 1 2 357.436 -1.616 20 0 FAADLO Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)C2)ncn1 ZINC001196429462 792289317 /nfs/dbraw/zinc/28/93/17/792289317.db2.gz MGUOKGHOFUIXFM-CYZMBNFOSA-N 1 2 357.436 -1.616 20 0 FAADLO Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C2)ncn1 ZINC001196429463 792289467 /nfs/dbraw/zinc/28/94/67/792289467.db2.gz MGUOKGHOFUIXFM-RAIGVLPGSA-N 1 2 357.436 -1.616 20 0 FAADLO Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C2)ncn1 ZINC001196429463 792289460 /nfs/dbraw/zinc/28/94/60/792289460.db2.gz MGUOKGHOFUIXFM-RAIGVLPGSA-N 1 2 357.436 -1.616 20 0 FAADLO Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)C2)o1 ZINC001196429468 792289713 /nfs/dbraw/zinc/28/97/13/792289713.db2.gz MQAMBUXFSQSFHV-MVWJERBFSA-N 1 2 360.436 -1.110 20 0 FAADLO Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)C2)o1 ZINC001196429468 792289705 /nfs/dbraw/zinc/28/97/05/792289705.db2.gz MQAMBUXFSQSFHV-MVWJERBFSA-N 1 2 360.436 -1.110 20 0 FAADLO Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C2)o1 ZINC001196429469 792289353 /nfs/dbraw/zinc/28/93/53/792289353.db2.gz MQAMBUXFSQSFHV-YUSALJHKSA-N 1 2 360.436 -1.110 20 0 FAADLO Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C2)o1 ZINC001196429469 792289343 /nfs/dbraw/zinc/28/93/43/792289343.db2.gz MQAMBUXFSQSFHV-YUSALJHKSA-N 1 2 360.436 -1.110 20 0 FAADLO Cc1nn(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001196429472 792289108 /nfs/dbraw/zinc/28/91/08/792289108.db2.gz NBVNMQDWBSOQQZ-CYZMBNFOSA-N 1 2 359.452 -1.672 20 0 FAADLO Cc1nn(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001196429472 792289098 /nfs/dbraw/zinc/28/90/98/792289098.db2.gz NBVNMQDWBSOQQZ-CYZMBNFOSA-N 1 2 359.452 -1.672 20 0 FAADLO Cc1nn(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001196429473 792289839 /nfs/dbraw/zinc/28/98/39/792289839.db2.gz NBVNMQDWBSOQQZ-RAIGVLPGSA-N 1 2 359.452 -1.672 20 0 FAADLO Cc1nn(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001196429473 792289831 /nfs/dbraw/zinc/28/98/31/792289831.db2.gz NBVNMQDWBSOQQZ-RAIGVLPGSA-N 1 2 359.452 -1.672 20 0 FAADLO CCN(CC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001196429697 792291024 /nfs/dbraw/zinc/29/10/24/792291024.db2.gz PQQYSUIAGYPIHW-IJLUTSLNSA-N 1 2 364.468 -2.046 20 0 FAADLO CCN(CC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001196429697 792291018 /nfs/dbraw/zinc/29/10/18/792291018.db2.gz PQQYSUIAGYPIHW-IJLUTSLNSA-N 1 2 364.468 -2.046 20 0 FAADLO CCN(CC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001196429698 792291150 /nfs/dbraw/zinc/29/11/50/792291150.db2.gz PQQYSUIAGYPIHW-QJPTWQEYSA-N 1 2 364.468 -2.046 20 0 FAADLO CCN(CC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001196429698 792291142 /nfs/dbraw/zinc/29/11/42/792291142.db2.gz PQQYSUIAGYPIHW-QJPTWQEYSA-N 1 2 364.468 -2.046 20 0 FAADLO CCc1nocc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001196430157 792291063 /nfs/dbraw/zinc/29/10/63/792291063.db2.gz XRGLQFOFBOICTP-OASPWFOLSA-N 1 2 360.436 -1.164 20 0 FAADLO CCc1nocc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001196430157 792291050 /nfs/dbraw/zinc/29/10/50/792291050.db2.gz XRGLQFOFBOICTP-OASPWFOLSA-N 1 2 360.436 -1.164 20 0 FAADLO CCc1nocc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001196430158 792291582 /nfs/dbraw/zinc/29/15/82/792291582.db2.gz XRGLQFOFBOICTP-ZWKOPEQDSA-N 1 2 360.436 -1.164 20 0 FAADLO CCc1nocc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001196430158 792291573 /nfs/dbraw/zinc/29/15/73/792291573.db2.gz XRGLQFOFBOICTP-ZWKOPEQDSA-N 1 2 360.436 -1.164 20 0 FAADLO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001196444919 792287770 /nfs/dbraw/zinc/28/77/70/792287770.db2.gz DQHHAYTTWOMOBM-HBNTYKKESA-N 1 2 355.395 -2.387 20 0 FAADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001196444919 792287763 /nfs/dbraw/zinc/28/77/63/792287763.db2.gz DQHHAYTTWOMOBM-HBNTYKKESA-N 1 2 355.395 -2.387 20 0 FAADLO CCN(CC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001196445512 792288576 /nfs/dbraw/zinc/28/85/76/792288576.db2.gz IQZMNIACPUCMDH-HBNTYKKESA-N 1 2 355.395 -2.386 20 0 FAADLO CCN(CC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001196445512 792288567 /nfs/dbraw/zinc/28/85/67/792288567.db2.gz IQZMNIACPUCMDH-HBNTYKKESA-N 1 2 355.395 -2.386 20 0 FAADLO CC(C)(C)NC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001196446311 792288103 /nfs/dbraw/zinc/28/81/03/792288103.db2.gz QJJBEBNTJFEJRY-IVZWLZJFSA-N 1 2 355.395 -2.340 20 0 FAADLO CC(C)(C)NC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001196446311 792288094 /nfs/dbraw/zinc/28/80/94/792288094.db2.gz QJJBEBNTJFEJRY-IVZWLZJFSA-N 1 2 355.395 -2.340 20 0 FAADLO O=C(N[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1O)[C@@H]1CC(=O)NC(=O)N1 ZINC001196452259 792292738 /nfs/dbraw/zinc/29/27/38/792292738.db2.gz IOJKBZABKDCONN-DJLDLDEBSA-N 1 2 368.312 -1.675 20 0 FAADLO O=C(N[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1O)[C@@H]1CC(=O)NC(=O)N1 ZINC001196452259 792292733 /nfs/dbraw/zinc/29/27/33/792292733.db2.gz IOJKBZABKDCONN-DJLDLDEBSA-N 1 2 368.312 -1.675 20 0 FAADLO O=C(NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1)C1CC1 ZINC001196452779 792292982 /nfs/dbraw/zinc/29/29/82/792292982.db2.gz MEICIPHXJOVJDA-HBNTYKKESA-N 1 2 353.379 -2.728 20 0 FAADLO O=C(NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1)C1CC1 ZINC001196452779 792292976 /nfs/dbraw/zinc/29/29/76/792292976.db2.gz MEICIPHXJOVJDA-HBNTYKKESA-N 1 2 353.379 -2.728 20 0 FAADLO CS(=O)(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001196453736 792293462 /nfs/dbraw/zinc/29/34/62/792293462.db2.gz SIMGGBHQGXVKJK-DJLDLDEBSA-N 1 2 363.396 -3.705 20 0 FAADLO CS(=O)(=O)NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001196453736 792293457 /nfs/dbraw/zinc/29/34/57/792293457.db2.gz SIMGGBHQGXVKJK-DJLDLDEBSA-N 1 2 363.396 -3.705 20 0 FAADLO CCCN1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)CC)C[C@H]2O)CC1=O ZINC001196460744 792294190 /nfs/dbraw/zinc/29/41/90/792294190.db2.gz JWCNTKADGQJNNA-BFHYXJOUSA-N 1 2 354.451 -1.116 20 0 FAADLO CCCN1C[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)CC)C[C@H]2O)CC1=O ZINC001196460744 792294180 /nfs/dbraw/zinc/29/41/80/792294180.db2.gz JWCNTKADGQJNNA-BFHYXJOUSA-N 1 2 354.451 -1.116 20 0 FAADLO CCCN1C[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)CC)C[C@H]2O)CC1=O ZINC001196460746 792294278 /nfs/dbraw/zinc/29/42/78/792294278.db2.gz JWCNTKADGQJNNA-MGPQQGTHSA-N 1 2 354.451 -1.116 20 0 FAADLO CCCN1C[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)CC)C[C@H]2O)CC1=O ZINC001196460746 792294275 /nfs/dbraw/zinc/29/42/75/792294275.db2.gz JWCNTKADGQJNNA-MGPQQGTHSA-N 1 2 354.451 -1.116 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc(Cl)cn2)C1 ZINC001196460773 792294436 /nfs/dbraw/zinc/29/44/36/792294436.db2.gz KWMVZPKGUOUGTL-FXBDTBDDSA-N 1 2 358.786 -1.719 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc(Cl)cn2)C1 ZINC001196460773 792294425 /nfs/dbraw/zinc/29/44/25/792294425.db2.gz KWMVZPKGUOUGTL-FXBDTBDDSA-N 1 2 358.786 -1.719 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc(Cl)cn2)C1 ZINC001196460775 792294072 /nfs/dbraw/zinc/29/40/72/792294072.db2.gz KWMVZPKGUOUGTL-SZEHBUNVSA-N 1 2 358.786 -1.719 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc(Cl)cn2)C1 ZINC001196460775 792294066 /nfs/dbraw/zinc/29/40/66/792294066.db2.gz KWMVZPKGUOUGTL-SZEHBUNVSA-N 1 2 358.786 -1.719 20 0 FAADLO Cc1ccnn1CC(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001196469072 792292154 /nfs/dbraw/zinc/29/21/54/792292154.db2.gz QDDAEZABDOPKGZ-CHWSQXEVSA-N 1 2 359.452 -1.756 20 0 FAADLO Cc1ccnn1CC(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001196469072 792292144 /nfs/dbraw/zinc/29/21/44/792292144.db2.gz QDDAEZABDOPKGZ-CHWSQXEVSA-N 1 2 359.452 -1.756 20 0 FAADLO Cc1ccn(CC(=O)N[C@@H]2C[N@@H+](CC(=O)NC(C)C)C[C@H]2O)c(=O)c1 ZINC001196481424 792291652 /nfs/dbraw/zinc/29/16/52/792291652.db2.gz BNVQPIOBZZCKRE-ZIAGYGMSSA-N 1 2 350.419 -1.157 20 0 FAADLO Cc1ccn(CC(=O)N[C@@H]2C[N@H+](CC(=O)NC(C)C)C[C@H]2O)c(=O)c1 ZINC001196481424 792291641 /nfs/dbraw/zinc/29/16/41/792291641.db2.gz BNVQPIOBZZCKRE-ZIAGYGMSSA-N 1 2 350.419 -1.157 20 0 FAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccc(C)cc2=O)C1 ZINC001196481508 792291680 /nfs/dbraw/zinc/29/16/80/792291680.db2.gz BXMTUTDHMUZWHR-ZIAGYGMSSA-N 1 2 350.419 -1.204 20 0 FAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccc(C)cc2=O)C1 ZINC001196481508 792291670 /nfs/dbraw/zinc/29/16/70/792291670.db2.gz BXMTUTDHMUZWHR-ZIAGYGMSSA-N 1 2 350.419 -1.204 20 0 FAADLO CN(C)S(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001196489236 792292788 /nfs/dbraw/zinc/29/27/88/792292788.db2.gz BGCROZKNVRZZHY-GHMZBOCLSA-N 1 2 363.440 -3.178 20 0 FAADLO CN(C)S(=O)(=O)NCC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001196489236 792292781 /nfs/dbraw/zinc/29/27/81/792292781.db2.gz BGCROZKNVRZZHY-GHMZBOCLSA-N 1 2 363.440 -3.178 20 0 FAADLO Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CNS(=O)(=O)N(C)C)C2)o1 ZINC001196489247 792293169 /nfs/dbraw/zinc/29/31/69/792293169.db2.gz BVYUFURBUCVRLS-VXGBXAGGSA-N 1 2 361.424 -1.960 20 0 FAADLO Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CNS(=O)(=O)N(C)C)C2)o1 ZINC001196489247 792293163 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/nfs/dbraw/zinc/34/11/48/792341148.db2.gz WZBZJRWUMQMOEC-UMVBOHGHSA-N 1 2 363.480 -1.144 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCCOC2)C1)S(C)(=O)=O ZINC001197255700 792341144 /nfs/dbraw/zinc/34/11/44/792341144.db2.gz WZBZJRWUMQMOEC-UMVBOHGHSA-N 1 2 363.480 -1.144 20 0 FAADLO CCOCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H](CC)C(N)=O)C[C@H]2O)cn1 ZINC001197273280 792341292 /nfs/dbraw/zinc/34/12/92/792341292.db2.gz DXZGNEDYCADTHE-HZSPNIEDSA-N 1 2 353.423 -1.042 20 0 FAADLO CCOCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]2O)cn1 ZINC001197273280 792341281 /nfs/dbraw/zinc/34/12/81/792341281.db2.gz DXZGNEDYCADTHE-HZSPNIEDSA-N 1 2 353.423 -1.042 20 0 FAADLO CCOCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H](CC)C(N)=O)C[C@H]2O)cn1 ZINC001197273285 792341195 /nfs/dbraw/zinc/34/11/95/792341195.db2.gz DXZGNEDYCADTHE-MGPQQGTHSA-N 1 2 353.423 -1.042 20 0 FAADLO CCOCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H](CC)C(N)=O)C[C@H]2O)cn1 ZINC001197273285 792341189 /nfs/dbraw/zinc/34/11/89/792341189.db2.gz DXZGNEDYCADTHE-MGPQQGTHSA-N 1 2 353.423 -1.042 20 0 FAADLO O=C(NCC1CC1)C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001197273849 792341514 /nfs/dbraw/zinc/34/15/14/792341514.db2.gz MAQQXBMYCDFPAK-GHMZBOCLSA-N 1 2 353.379 -2.774 20 0 FAADLO O=C(NCC1CC1)C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001197273849 792341503 /nfs/dbraw/zinc/34/15/03/792341503.db2.gz MAQQXBMYCDFPAK-GHMZBOCLSA-N 1 2 353.379 -2.774 20 0 FAADLO CCOCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)NC)C[C@H]2O)cn1 ZINC001197273864 792341800 /nfs/dbraw/zinc/34/18/00/792341800.db2.gz MQNRZGBYKGZZHX-IACUBPJLSA-N 1 2 353.423 -1.171 20 0 FAADLO CCOCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]2O)cn1 ZINC001197273864 792341789 /nfs/dbraw/zinc/34/17/89/792341789.db2.gz MQNRZGBYKGZZHX-IACUBPJLSA-N 1 2 353.423 -1.171 20 0 FAADLO CCOCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)NC)C[C@H]2O)cn1 ZINC001197273865 792341593 /nfs/dbraw/zinc/34/15/93/792341593.db2.gz MQNRZGBYKGZZHX-MRVWCRGKSA-N 1 2 353.423 -1.171 20 0 FAADLO CCOCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)NC)C[C@H]2O)cn1 ZINC001197273865 792341582 /nfs/dbraw/zinc/34/15/82/792341582.db2.gz MQNRZGBYKGZZHX-MRVWCRGKSA-N 1 2 353.423 -1.171 20 0 FAADLO CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001197279998 792344754 /nfs/dbraw/zinc/34/47/54/792344754.db2.gz DNCKJWHQQZGLMR-IACUBPJLSA-N 1 2 354.451 -1.071 20 0 FAADLO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001197279998 792344739 /nfs/dbraw/zinc/34/47/39/792344739.db2.gz DNCKJWHQQZGLMR-IACUBPJLSA-N 1 2 354.451 -1.071 20 0 FAADLO CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001197279999 792344653 /nfs/dbraw/zinc/34/46/53/792344653.db2.gz DNCKJWHQQZGLMR-MRVWCRGKSA-N 1 2 354.451 -1.071 20 0 FAADLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001197279999 792344646 /nfs/dbraw/zinc/34/46/46/792344646.db2.gz DNCKJWHQQZGLMR-MRVWCRGKSA-N 1 2 354.451 -1.071 20 0 FAADLO O=C(NCC1CC1)C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001197280442 792344277 /nfs/dbraw/zinc/34/42/77/792344277.db2.gz LDSDUSIFLAFPNW-VXGBXAGGSA-N 1 2 352.391 -2.177 20 0 FAADLO O=C(NCC1CC1)C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001197280442 792344266 /nfs/dbraw/zinc/34/42/66/792344266.db2.gz LDSDUSIFLAFPNW-VXGBXAGGSA-N 1 2 352.391 -2.177 20 0 FAADLO CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001197280462 792344814 /nfs/dbraw/zinc/34/48/14/792344814.db2.gz MENULLKHBGXIJK-IACUBPJLSA-N 1 2 354.451 -1.069 20 0 FAADLO CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001197280462 792344806 /nfs/dbraw/zinc/34/48/06/792344806.db2.gz MENULLKHBGXIJK-IACUBPJLSA-N 1 2 354.451 -1.069 20 0 FAADLO CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001197280465 792344310 /nfs/dbraw/zinc/34/43/10/792344310.db2.gz MENULLKHBGXIJK-MRVWCRGKSA-N 1 2 354.451 -1.069 20 0 FAADLO CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001197280465 792344299 /nfs/dbraw/zinc/34/42/99/792344299.db2.gz MENULLKHBGXIJK-MRVWCRGKSA-N 1 2 354.451 -1.069 20 0 FAADLO CCCn1cc(C(=O)N[C@@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]2O)nn1 ZINC001197289265 792345661 /nfs/dbraw/zinc/34/56/61/792345661.db2.gz QIEVUXFUVNTPML-TZMCWYRMSA-N 1 2 350.423 -1.011 20 0 FAADLO CCCn1cc(C(=O)N[C@@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]2O)nn1 ZINC001197289265 792345638 /nfs/dbraw/zinc/34/56/38/792345638.db2.gz QIEVUXFUVNTPML-TZMCWYRMSA-N 1 2 350.423 -1.011 20 0 FAADLO Cc1nc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C(=O)NCC3CC3)C2)n1 ZINC001197295820 792342802 /nfs/dbraw/zinc/34/28/02/792342802.db2.gz DQOLYEDKMIQWGL-ZIAGYGMSSA-N 1 2 350.423 -1.418 20 0 FAADLO Cc1nc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C(=O)NCC3CC3)C2)n1 ZINC001197295820 792342796 /nfs/dbraw/zinc/34/27/96/792342796.db2.gz DQOLYEDKMIQWGL-ZIAGYGMSSA-N 1 2 350.423 -1.418 20 0 FAADLO O=C(NCC1CC1)C(=O)N[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]1O ZINC001197296876 792342154 /nfs/dbraw/zinc/34/21/54/792342154.db2.gz PQTYGWQLIBZGOB-GMTAPVOTSA-N 1 2 353.341 -1.013 20 0 FAADLO O=C(NCC1CC1)C(=O)N[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]1O ZINC001197296876 792342140 /nfs/dbraw/zinc/34/21/40/792342140.db2.gz PQTYGWQLIBZGOB-GMTAPVOTSA-N 1 2 353.341 -1.013 20 0 FAADLO O=C(NCC1CC1)C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1O ZINC001197296878 792342474 /nfs/dbraw/zinc/34/24/74/792342474.db2.gz PQTYGWQLIBZGOB-HBNTYKKESA-N 1 2 353.341 -1.013 20 0 FAADLO O=C(NCC1CC1)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1O ZINC001197296878 792342459 /nfs/dbraw/zinc/34/24/59/792342459.db2.gz PQTYGWQLIBZGOB-HBNTYKKESA-N 1 2 353.341 -1.013 20 0 FAADLO CC(C)NC(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001197297383 792342356 /nfs/dbraw/zinc/34/23/56/792342356.db2.gz YZQMQPHXCWYMJH-CHWSQXEVSA-N 1 2 355.439 -1.619 20 0 FAADLO CC(C)NC(=O)NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001197297383 792342345 /nfs/dbraw/zinc/34/23/45/792342345.db2.gz YZQMQPHXCWYMJH-CHWSQXEVSA-N 1 2 355.439 -1.619 20 0 FAADLO CC(C)N(C)C(=O)C1(C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2O)CC1 ZINC001197310415 792342507 /nfs/dbraw/zinc/34/25/07/792342507.db2.gz BGYOQNXBJXQJPH-CHWSQXEVSA-N 1 2 354.451 -1.117 20 0 FAADLO CC(C)N(C)C(=O)C1(C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2O)CC1 ZINC001197310415 792342494 /nfs/dbraw/zinc/34/24/94/792342494.db2.gz BGYOQNXBJXQJPH-CHWSQXEVSA-N 1 2 354.451 -1.117 20 0 FAADLO CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCNC(=O)NC(C)C)C[C@H]2O)nn1 ZINC001197310694 792342383 /nfs/dbraw/zinc/34/23/83/792342383.db2.gz HNOJXEHKCWDWHB-DGCLKSJQSA-N 1 2 353.427 -1.220 20 0 FAADLO CCn1cc(C(=O)N[C@@H]2C[N@H+](CCNC(=O)NC(C)C)C[C@H]2O)nn1 ZINC001197310694 792342370 /nfs/dbraw/zinc/34/23/70/792342370.db2.gz HNOJXEHKCWDWHB-DGCLKSJQSA-N 1 2 353.427 -1.220 20 0 FAADLO CC(C)N(C)C(=O)C1(C(=O)N[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]2O)CC1 ZINC001197311396 792343248 /nfs/dbraw/zinc/34/32/48/792343248.db2.gz XTLLGQBSQNYQGA-FRRDWIJNSA-N 1 2 352.435 -1.317 20 0 FAADLO CC(C)N(C)C(=O)C1(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]2O)CC1 ZINC001197311396 792343241 /nfs/dbraw/zinc/34/32/41/792343241.db2.gz XTLLGQBSQNYQGA-FRRDWIJNSA-N 1 2 352.435 -1.317 20 0 FAADLO CC(C)N(C)C(=O)C1(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]2O)CC1 ZINC001197311397 792343774 /nfs/dbraw/zinc/34/37/74/792343774.db2.gz XTLLGQBSQNYQGA-JHJVBQTASA-N 1 2 352.435 -1.317 20 0 FAADLO CC(C)N(C)C(=O)C1(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]2O)CC1 ZINC001197311397 792343765 /nfs/dbraw/zinc/34/37/65/792343765.db2.gz XTLLGQBSQNYQGA-JHJVBQTASA-N 1 2 352.435 -1.317 20 0 FAADLO C[NH+]1CCC(OCC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[nH]3)C[C@H]2O)CC1 ZINC001197319333 792343208 /nfs/dbraw/zinc/34/32/08/792343208.db2.gz ADGUEJASRFYIOT-VXGBXAGGSA-N 1 2 354.411 -1.718 20 0 FAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(=O)N(C)C(C)C)CC2)C1 ZINC001197319735 792343151 /nfs/dbraw/zinc/34/31/51/792343151.db2.gz QSBULXIRQVTSGX-JHJVBQTASA-N 1 2 354.451 -1.071 20 0 FAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(=O)N(C)C(C)C)CC2)C1 ZINC001197319735 792343139 /nfs/dbraw/zinc/34/31/39/792343139.db2.gz QSBULXIRQVTSGX-JHJVBQTASA-N 1 2 354.451 -1.071 20 0 FAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(=O)N(C)C(C)C)CC2)C1 ZINC001197319736 792343931 /nfs/dbraw/zinc/34/39/31/792343931.db2.gz QSBULXIRQVTSGX-YNEHKIRRSA-N 1 2 354.451 -1.071 20 0 FAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(=O)N(C)C(C)C)CC2)C1 ZINC001197319736 792343920 /nfs/dbraw/zinc/34/39/20/792343920.db2.gz QSBULXIRQVTSGX-YNEHKIRRSA-N 1 2 354.451 -1.071 20 0 FAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(=O)NCC(F)(F)F)C1 ZINC001197326795 792347712 /nfs/dbraw/zinc/34/77/12/792347712.db2.gz HWQWQSFHXAFRSQ-HRDYMLBCSA-N 1 2 354.329 -1.520 20 0 FAADLO 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CCS(=O)(=O)N(C)CC(=O)N[C@@H]1C[N@H+](Cc2ocnc2C)C[C@H]1O ZINC001197381734 792350047 /nfs/dbraw/zinc/35/00/47/792350047.db2.gz JBRFPMSYZUCJMR-VXGBXAGGSA-N 1 2 360.436 -1.074 20 0 FAADLO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]1O ZINC001197381740 792349933 /nfs/dbraw/zinc/34/99/33/792349933.db2.gz JJXVHHCASPCEFP-IJLUTSLNSA-N 1 2 364.468 -2.094 20 0 FAADLO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]1O ZINC001197381740 792349919 /nfs/dbraw/zinc/34/99/19/792349919.db2.gz JJXVHHCASPCEFP-IJLUTSLNSA-N 1 2 364.468 -2.094 20 0 FAADLO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1O ZINC001197381741 792349654 /nfs/dbraw/zinc/34/96/54/792349654.db2.gz JJXVHHCASPCEFP-QJPTWQEYSA-N 1 2 364.468 -2.094 20 0 FAADLO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1O ZINC001197381741 792349642 /nfs/dbraw/zinc/34/96/42/792349642.db2.gz JJXVHHCASPCEFP-QJPTWQEYSA-N 1 2 364.468 -2.094 20 0 FAADLO 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CCS(=O)(=O)N(C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(C)ncn2)C[C@H]1O ZINC001197381930 792349563 /nfs/dbraw/zinc/34/95/63/792349563.db2.gz OBBLRKBTVKZSPX-ZIAGYGMSSA-N 1 2 371.463 -1.272 20 0 FAADLO Cn1ncnc1COCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001197381942 792350106 /nfs/dbraw/zinc/35/01/06/792350106.db2.gz OXKIWVOJUWQNHO-GRYCIOLGSA-N 1 2 352.395 -2.228 20 0 FAADLO Cn1ncnc1COCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001197381942 792350091 /nfs/dbraw/zinc/35/00/91/792350091.db2.gz OXKIWVOJUWQNHO-GRYCIOLGSA-N 1 2 352.395 -2.228 20 0 FAADLO Cn1ncnc1COCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001197381943 792349889 /nfs/dbraw/zinc/34/98/89/792349889.db2.gz OXKIWVOJUWQNHO-IJLUTSLNSA-N 1 2 352.395 -2.228 20 0 FAADLO Cn1ncnc1COCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001197381943 792349879 /nfs/dbraw/zinc/34/98/79/792349879.db2.gz OXKIWVOJUWQNHO-IJLUTSLNSA-N 1 2 352.395 -2.228 20 0 FAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)S(=O)(=O)CC)C1 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ZINC001197512262 792356138 /nfs/dbraw/zinc/35/61/38/792356138.db2.gz JXURYXJITJMOKT-VXGBXAGGSA-N 1 2 360.440 -2.231 20 0 FAADLO CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CCCn3cncn3)C2)C1=O ZINC001197512318 792355419 /nfs/dbraw/zinc/35/54/19/792355419.db2.gz MXQOELOULJAKCO-HZSPNIEDSA-N 1 2 350.423 -1.160 20 0 FAADLO CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCn3cncn3)C2)C1=O ZINC001197512318 792355408 /nfs/dbraw/zinc/35/54/08/792355408.db2.gz MXQOELOULJAKCO-HZSPNIEDSA-N 1 2 350.423 -1.160 20 0 FAADLO CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CCCn3cncn3)C2)C1=O ZINC001197512319 792356353 /nfs/dbraw/zinc/35/63/53/792356353.db2.gz MXQOELOULJAKCO-MGPQQGTHSA-N 1 2 350.423 -1.160 20 0 FAADLO CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCn3cncn3)C2)C1=O ZINC001197512319 792356342 /nfs/dbraw/zinc/35/63/42/792356342.db2.gz MXQOELOULJAKCO-MGPQQGTHSA-N 1 2 350.423 -1.160 20 0 FAADLO CCC(=O)N1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)CC)C[C@H]2O)C1 ZINC001197512329 792355859 /nfs/dbraw/zinc/35/58/59/792355859.db2.gz NDZPSHWHGZRHTR-BFHYXJOUSA-N 1 2 354.451 -1.116 20 0 FAADLO CCC(=O)N1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)CC)C[C@H]2O)C1 ZINC001197512329 792355848 /nfs/dbraw/zinc/35/58/48/792355848.db2.gz NDZPSHWHGZRHTR-BFHYXJOUSA-N 1 2 354.451 -1.116 20 0 FAADLO CCC(=O)N1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)CC)C[C@H]2O)C1 ZINC001197512330 792355526 /nfs/dbraw/zinc/35/55/26/792355526.db2.gz NDZPSHWHGZRHTR-MGPQQGTHSA-N 1 2 354.451 -1.116 20 0 FAADLO CCC(=O)N1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)CC)C[C@H]2O)C1 ZINC001197512330 792355517 /nfs/dbraw/zinc/35/55/17/792355517.db2.gz NDZPSHWHGZRHTR-MGPQQGTHSA-N 1 2 354.451 -1.116 20 0 FAADLO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cncn2)C1 ZINC001197512380 792356066 /nfs/dbraw/zinc/35/60/66/792356066.db2.gz PHJZRNXEQPKIKV-IACUBPJLSA-N 1 2 350.423 -1.113 20 0 FAADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cncn2)C1 ZINC001197512380 792356054 /nfs/dbraw/zinc/35/60/54/792356054.db2.gz PHJZRNXEQPKIKV-IACUBPJLSA-N 1 2 350.423 -1.113 20 0 FAADLO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cncn2)C1 ZINC001197512381 792355485 /nfs/dbraw/zinc/35/54/85/792355485.db2.gz PHJZRNXEQPKIKV-MRVWCRGKSA-N 1 2 350.423 -1.113 20 0 FAADLO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cncn2)C1 ZINC001197512381 792355474 /nfs/dbraw/zinc/35/54/74/792355474.db2.gz PHJZRNXEQPKIKV-MRVWCRGKSA-N 1 2 350.423 -1.113 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cncn2)C1 ZINC001197512441 792356205 /nfs/dbraw/zinc/35/62/05/792356205.db2.gz SDHBFDWETRHFON-GMTAPVOTSA-N 1 2 353.383 -2.197 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cncn2)C1 ZINC001197512441 792356193 /nfs/dbraw/zinc/35/61/93/792356193.db2.gz SDHBFDWETRHFON-GMTAPVOTSA-N 1 2 353.383 -2.197 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cncn2)C1 ZINC001197512444 792355665 /nfs/dbraw/zinc/35/56/65/792355665.db2.gz SDHBFDWETRHFON-HBNTYKKESA-N 1 2 353.383 -2.197 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cncn2)C1 ZINC001197512444 792355658 /nfs/dbraw/zinc/35/56/58/792355658.db2.gz SDHBFDWETRHFON-HBNTYKKESA-N 1 2 353.383 -2.197 20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cnccn2)C1 ZINC001197512467 792355597 /nfs/dbraw/zinc/35/55/97/792355597.db2.gz SWCSYTCALCOGQF-ZIAGYGMSSA-N 1 2 371.463 -1.490 20 0 FAADLO CCS(=O)(=O)NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cnccn2)C1 ZINC001197512467 792355586 /nfs/dbraw/zinc/35/55/86/792355586.db2.gz SWCSYTCALCOGQF-ZIAGYGMSSA-N 1 2 371.463 -1.490 20 0 FAADLO O=C(CCCn1cncn1)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001197512719 792356318 /nfs/dbraw/zinc/35/63/18/792356318.db2.gz XKJAMGOVBXPDQU-ZIAGYGMSSA-N 1 2 350.423 -1.158 20 0 FAADLO O=C(CCCn1cncn1)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001197512719 792356315 /nfs/dbraw/zinc/35/63/15/792356315.db2.gz XKJAMGOVBXPDQU-ZIAGYGMSSA-N 1 2 350.423 -1.158 20 0 FAADLO O=C(CCCn1cncn1)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001197519087 792355748 /nfs/dbraw/zinc/35/57/48/792355748.db2.gz DECZODUQOGMXBE-GRYCIOLGSA-N 1 2 350.379 -1.975 20 0 FAADLO O=C(CCCn1cncn1)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001197519087 792355739 /nfs/dbraw/zinc/35/57/39/792355739.db2.gz DECZODUQOGMXBE-GRYCIOLGSA-N 1 2 350.379 -1.975 20 0 FAADLO O=C(CCCn1cncn1)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001197519090 792355323 /nfs/dbraw/zinc/35/53/23/792355323.db2.gz DECZODUQOGMXBE-IJLUTSLNSA-N 1 2 350.379 -1.975 20 0 FAADLO O=C(CCCn1cncn1)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001197519090 792355311 /nfs/dbraw/zinc/35/53/11/792355311.db2.gz DECZODUQOGMXBE-IJLUTSLNSA-N 1 2 350.379 -1.975 20 0 FAADLO O=C(CCCn1cncn1)N[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001197520024 792356724 /nfs/dbraw/zinc/35/67/24/792356724.db2.gz RSMDRPFNZWBEHT-BFHYXJOUSA-N 1 2 371.463 -1.346 20 0 FAADLO O=C(CCCn1cncn1)N[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001197520024 792356713 /nfs/dbraw/zinc/35/67/13/792356713.db2.gz RSMDRPFNZWBEHT-BFHYXJOUSA-N 1 2 371.463 -1.346 20 0 FAADLO O=C(CCCn1cncn1)N[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001197520025 792356679 /nfs/dbraw/zinc/35/66/79/792356679.db2.gz RSMDRPFNZWBEHT-MGPQQGTHSA-N 1 2 371.463 -1.346 20 0 FAADLO O=C(CCCn1cncn1)N[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001197520025 792356671 /nfs/dbraw/zinc/35/66/71/792356671.db2.gz RSMDRPFNZWBEHT-MGPQQGTHSA-N 1 2 371.463 -1.346 20 0 FAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCN(C(C)=O)C2)C1 ZINC001197542768 792358387 /nfs/dbraw/zinc/35/83/87/792358387.db2.gz FIMGKLNSFMQLLU-CKEIUWERSA-N 1 2 354.451 -1.116 20 0 FAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCN(C(C)=O)C2)C1 ZINC001197542768 792358383 /nfs/dbraw/zinc/35/83/83/792358383.db2.gz FIMGKLNSFMQLLU-CKEIUWERSA-N 1 2 354.451 -1.116 20 0 FAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CCN(C(C)=O)C2)C1 ZINC001197542769 792358861 /nfs/dbraw/zinc/35/88/61/792358861.db2.gz FIMGKLNSFMQLLU-CPUCHLNUSA-N 1 2 354.451 -1.116 20 0 FAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CCN(C(C)=O)C2)C1 ZINC001197542769 792358849 /nfs/dbraw/zinc/35/88/49/792358849.db2.gz FIMGKLNSFMQLLU-CPUCHLNUSA-N 1 2 354.451 -1.116 20 0 FAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001197542798 792358137 /nfs/dbraw/zinc/35/81/37/792358137.db2.gz GMIHGEVMWICEJX-GHMZBOCLSA-N 1 2 355.395 -2.432 20 0 FAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001197542798 792358126 /nfs/dbraw/zinc/35/81/26/792358126.db2.gz GMIHGEVMWICEJX-GHMZBOCLSA-N 1 2 355.395 -2.432 20 0 FAADLO CC(C)NC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001197544057 792358335 /nfs/dbraw/zinc/35/83/35/792358335.db2.gz VXFXVSKRKZTBJX-GHMZBOCLSA-N 1 2 355.395 -2.386 20 0 FAADLO CC(C)NC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001197544057 792358325 /nfs/dbraw/zinc/35/83/25/792358325.db2.gz VXFXVSKRKZTBJX-GHMZBOCLSA-N 1 2 355.395 -2.386 20 0 FAADLO O=C(CNC(=O)c1cscn1)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001197551101 792359441 /nfs/dbraw/zinc/35/94/41/792359441.db2.gz BMQGVXQKWYALED-ZYHUDNBSSA-N 1 2 367.431 -1.734 20 0 FAADLO O=C(CNC(=O)c1cscn1)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001197551101 792359430 /nfs/dbraw/zinc/35/94/30/792359430.db2.gz BMQGVXQKWYALED-ZYHUDNBSSA-N 1 2 367.431 -1.734 20 0 FAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2cscn2)C1 ZINC001197551106 792359956 /nfs/dbraw/zinc/35/99/56/792359956.db2.gz BQGIUTAMRFHXRZ-FXPVBKGRSA-N 1 2 355.420 -1.831 20 0 FAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2cscn2)C1 ZINC001197551106 792359943 /nfs/dbraw/zinc/35/99/43/792359943.db2.gz BQGIUTAMRFHXRZ-FXPVBKGRSA-N 1 2 355.420 -1.831 20 0 FAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2cscn2)C1 ZINC001197551107 792359279 /nfs/dbraw/zinc/35/92/79/792359279.db2.gz BQGIUTAMRFHXRZ-IQJOONFLSA-N 1 2 355.420 -1.831 20 0 FAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2cscn2)C1 ZINC001197551107 792359270 /nfs/dbraw/zinc/35/92/70/792359270.db2.gz BQGIUTAMRFHXRZ-IQJOONFLSA-N 1 2 355.420 -1.831 20 0 FAADLO Cn1c[nH+]cc1CN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2cscn2)C1 ZINC001197551109 792359231 /nfs/dbraw/zinc/35/92/31/792359231.db2.gz BSBQXTPUFXBKKW-DGCLKSJQSA-N 1 2 364.431 -1.032 20 0 FAADLO O=C(C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2cscn2)C1)NC1CC1 ZINC001197551128 792359675 /nfs/dbraw/zinc/35/96/75/792359675.db2.gz CIACVOSEQKMSOM-ZYHUDNBSSA-N 1 2 367.431 -1.687 20 0 FAADLO O=C(C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2cscn2)C1)NC1CC1 ZINC001197551128 792359664 /nfs/dbraw/zinc/35/96/64/792359664.db2.gz CIACVOSEQKMSOM-ZYHUDNBSSA-N 1 2 367.431 -1.687 20 0 FAADLO O=C(CNC(=O)c1cscn1)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001197551168 792360279 /nfs/dbraw/zinc/36/02/79/792360279.db2.gz DBAYDRHBUQSAJU-ADEWGFFLSA-N 1 2 367.431 -1.687 20 0 FAADLO O=C(CNC(=O)c1cscn1)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001197551168 792360270 /nfs/dbraw/zinc/36/02/70/792360270.db2.gz DBAYDRHBUQSAJU-ADEWGFFLSA-N 1 2 367.431 -1.687 20 0 FAADLO O=C(CNC(=O)c1cscn1)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001197551169 792359494 /nfs/dbraw/zinc/35/94/94/792359494.db2.gz DBAYDRHBUQSAJU-YUSALJHKSA-N 1 2 367.431 -1.687 20 0 FAADLO O=C(CNC(=O)c1cscn1)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001197551169 792359484 /nfs/dbraw/zinc/35/94/84/792359484.db2.gz DBAYDRHBUQSAJU-YUSALJHKSA-N 1 2 367.431 -1.687 20 0 FAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2cscn2)C1 ZINC001197551192 792359873 /nfs/dbraw/zinc/35/98/73/792359873.db2.gz DKTNNAWIEUUPJE-MWLCHTKSSA-N 1 2 355.420 -1.878 20 0 FAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2cscn2)C1 ZINC001197551192 792359865 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C[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCCC(N)=O)C1)CS(C)(=O)=O ZINC001197673176 792368062 /nfs/dbraw/zinc/36/80/62/792368062.db2.gz ISLDZUWLPQQGKH-YNEHKIRRSA-N 1 2 363.480 -1.126 20 0 FAADLO C[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCCC(N)=O)C1)CS(C)(=O)=O ZINC001197673176 792368052 /nfs/dbraw/zinc/36/80/52/792368052.db2.gz ISLDZUWLPQQGKH-YNEHKIRRSA-N 1 2 363.480 -1.126 20 0 FAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2nc(C)nc2C)C1 ZINC001197673268 792367660 /nfs/dbraw/zinc/36/76/60/792367660.db2.gz LJMBTKSWBWAYEI-LERXQTSPSA-N 1 2 352.439 -1.029 20 0 FAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2nc(C)nc2C)C1 ZINC001197673268 792367648 /nfs/dbraw/zinc/36/76/48/792367648.db2.gz LJMBTKSWBWAYEI-LERXQTSPSA-N 1 2 352.439 -1.029 20 0 FAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2nc(C)nc2C)C1 ZINC001197673270 792367414 /nfs/dbraw/zinc/36/74/14/792367414.db2.gz LJMBTKSWBWAYEI-ZLKJLUDKSA-N 1 2 352.439 -1.029 20 0 FAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2nc(C)nc2C)C1 ZINC001197673270 792367405 /nfs/dbraw/zinc/36/74/05/792367405.db2.gz LJMBTKSWBWAYEI-ZLKJLUDKSA-N 1 2 352.439 -1.029 20 0 FAADLO Cc1nc(C)n(CCCC(=O)N[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]2O)n1 ZINC001197673928 792368025 /nfs/dbraw/zinc/36/80/25/792368025.db2.gz NLLJGYDPQIGOGT-HZSPNIEDSA-N 1 2 350.423 -1.275 20 0 FAADLO Cc1nc(C)n(CCCC(=O)N[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]2O)n1 ZINC001197673928 792368015 /nfs/dbraw/zinc/36/80/15/792368015.db2.gz NLLJGYDPQIGOGT-HZSPNIEDSA-N 1 2 350.423 -1.275 20 0 FAADLO Cc1nc(C)n(CCCC(=O)N[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]2O)n1 ZINC001197673938 792368126 /nfs/dbraw/zinc/36/81/26/792368126.db2.gz NLLJGYDPQIGOGT-MGPQQGTHSA-N 1 2 350.423 -1.275 20 0 FAADLO Cc1nc(C)n(CCCC(=O)N[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]2O)n1 ZINC001197673938 792368123 /nfs/dbraw/zinc/36/81/23/792368123.db2.gz NLLJGYDPQIGOGT-MGPQQGTHSA-N 1 2 350.423 -1.275 20 0 FAADLO CCc1noc(COCC(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)NC)C[C@H]2O)n1 ZINC001197674053 792368230 /nfs/dbraw/zinc/36/82/30/792368230.db2.gz QDHQAWYMKWHDLO-GMTAPVOTSA-N 1 2 355.395 -1.556 20 0 FAADLO CCc1noc(COCC(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)NC)C[C@H]2O)n1 ZINC001197674053 792368219 /nfs/dbraw/zinc/36/82/19/792368219.db2.gz QDHQAWYMKWHDLO-GMTAPVOTSA-N 1 2 355.395 -1.556 20 0 FAADLO CCc1noc(COCC(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)NC)C[C@H]2O)n1 ZINC001197674094 792367200 /nfs/dbraw/zinc/36/72/00/792367200.db2.gz QDHQAWYMKWHDLO-HBNTYKKESA-N 1 2 355.395 -1.556 20 0 FAADLO CCc1noc(COCC(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]2O)n1 ZINC001197674094 792367191 /nfs/dbraw/zinc/36/71/91/792367191.db2.gz QDHQAWYMKWHDLO-HBNTYKKESA-N 1 2 355.395 -1.556 20 0 FAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCCC(N)=O)C1 ZINC001197674145 792367586 /nfs/dbraw/zinc/36/75/86/792367586.db2.gz RCTFLTNQPJSYNZ-GMTAPVOTSA-N 1 2 357.411 -1.963 20 0 FAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCCC(N)=O)C1 ZINC001197674145 792367575 /nfs/dbraw/zinc/36/75/75/792367575.db2.gz RCTFLTNQPJSYNZ-GMTAPVOTSA-N 1 2 357.411 -1.963 20 0 FAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCCC(N)=O)C1 ZINC001197674149 792367470 /nfs/dbraw/zinc/36/74/70/792367470.db2.gz RCTFLTNQPJSYNZ-HBNTYKKESA-N 1 2 357.411 -1.963 20 0 FAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCCC(N)=O)C1 ZINC001197674149 792367459 /nfs/dbraw/zinc/36/74/59/792367459.db2.gz RCTFLTNQPJSYNZ-HBNTYKKESA-N 1 2 357.411 -1.963 20 0 FAADLO CCc1noc(COCC(=O)N[C@@H]2C[N@@H+]([C@H](CC)C(N)=O)C[C@H]2O)n1 ZINC001197674216 792367241 /nfs/dbraw/zinc/36/72/41/792367241.db2.gz SULAOTAOGXQNER-GMTAPVOTSA-N 1 2 355.395 -1.426 20 0 FAADLO CCc1noc(COCC(=O)N[C@@H]2C[N@H+]([C@H](CC)C(N)=O)C[C@H]2O)n1 ZINC001197674216 792367231 /nfs/dbraw/zinc/36/72/31/792367231.db2.gz SULAOTAOGXQNER-GMTAPVOTSA-N 1 2 355.395 -1.426 20 0 FAADLO CCc1noc(COCC(=O)N[C@@H]2C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]2O)n1 ZINC001197674225 792367745 /nfs/dbraw/zinc/36/77/45/792367745.db2.gz SULAOTAOGXQNER-OUAUKWLOSA-N 1 2 355.395 -1.426 20 0 FAADLO CCc1noc(COCC(=O)N[C@@H]2C[N@H+]([C@@H](CC)C(N)=O)C[C@H]2O)n1 ZINC001197674225 792367732 /nfs/dbraw/zinc/36/77/32/792367732.db2.gz SULAOTAOGXQNER-OUAUKWLOSA-N 1 2 355.395 -1.426 20 0 FAADLO CCNC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2nc(C)nc2C)C1 ZINC001197674302 792367075 /nfs/dbraw/zinc/36/70/75/792367075.db2.gz UUQIYTJKLZQYAS-ZIAGYGMSSA-N 1 2 352.439 -1.027 20 0 FAADLO CCNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2nc(C)nc2C)C1 ZINC001197674302 792367069 /nfs/dbraw/zinc/36/70/69/792367069.db2.gz UUQIYTJKLZQYAS-ZIAGYGMSSA-N 1 2 352.439 -1.027 20 0 FAADLO CN(C)C(=O)C1(C(=O)N[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]2O)CC1 ZINC001197680912 792367037 /nfs/dbraw/zinc/36/70/37/792367037.db2.gz BZKUURPXENAEEH-GHMZBOCLSA-N 1 2 362.452 -2.435 20 0 FAADLO CN(C)C(=O)C1(C(=O)N[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]2O)CC1 ZINC001197680912 792367028 /nfs/dbraw/zinc/36/70/28/792367028.db2.gz BZKUURPXENAEEH-GHMZBOCLSA-N 1 2 362.452 -2.435 20 0 FAADLO CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(=O)N(C)C)CC2)C1 ZINC001197680954 792367874 /nfs/dbraw/zinc/36/78/74/792367874.db2.gz FAJCBSYIIQJKMD-JHJVBQTASA-N 1 2 354.451 -1.069 20 0 FAADLO CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(=O)N(C)C)CC2)C1 ZINC001197680954 792367868 /nfs/dbraw/zinc/36/78/68/792367868.db2.gz FAJCBSYIIQJKMD-JHJVBQTASA-N 1 2 354.451 -1.069 20 0 FAADLO CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(=O)N(C)C)CC2)C1 ZINC001197680955 792367515 /nfs/dbraw/zinc/36/75/15/792367515.db2.gz FAJCBSYIIQJKMD-YNEHKIRRSA-N 1 2 354.451 -1.069 20 0 FAADLO CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(=O)N(C)C)CC2)C1 ZINC001197680955 792367506 /nfs/dbraw/zinc/36/75/06/792367506.db2.gz FAJCBSYIIQJKMD-YNEHKIRRSA-N 1 2 354.451 -1.069 20 0 FAADLO CN(C)C(=O)C1(C(=O)N[C@@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]2O)CC1 ZINC001197681184 792368539 /nfs/dbraw/zinc/36/85/39/792368539.db2.gz HUDLESJECZDAOP-CHWSQXEVSA-N 1 2 352.435 -1.458 20 0 FAADLO CN(C)C(=O)C1(C(=O)N[C@@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]2O)CC1 ZINC001197681184 792368533 /nfs/dbraw/zinc/36/85/33/792368533.db2.gz HUDLESJECZDAOP-CHWSQXEVSA-N 1 2 352.435 -1.458 20 0 FAADLO CCn1cc(CC(=O)N[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]2O)cn1 ZINC001197681229 792368729 /nfs/dbraw/zinc/36/87/29/792368729.db2.gz KBJFNQSUKLGRNL-CHWSQXEVSA-N 1 2 359.452 -1.844 20 0 FAADLO CCn1cc(CC(=O)N[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]2O)cn1 ZINC001197681229 792368720 /nfs/dbraw/zinc/36/87/20/792368720.db2.gz KBJFNQSUKLGRNL-CHWSQXEVSA-N 1 2 359.452 -1.844 20 0 FAADLO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(=O)N(C)C)CC2)C1 ZINC001197681381 792368849 /nfs/dbraw/zinc/36/88/49/792368849.db2.gz LEMKFZFJEADKQJ-CYZMBNFOSA-N 1 2 352.435 -1.317 20 0 FAADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(=O)N(C)C)CC2)C1 ZINC001197681381 792368839 /nfs/dbraw/zinc/36/88/39/792368839.db2.gz LEMKFZFJEADKQJ-CYZMBNFOSA-N 1 2 352.435 -1.317 20 0 FAADLO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(=O)N(C)C)CC2)C1 ZINC001197681382 792368553 /nfs/dbraw/zinc/36/85/53/792368553.db2.gz LEMKFZFJEADKQJ-RAIGVLPGSA-N 1 2 352.435 -1.317 20 0 FAADLO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(=O)N(C)C)CC2)C1 ZINC001197681382 792368549 /nfs/dbraw/zinc/36/85/49/792368549.db2.gz LEMKFZFJEADKQJ-RAIGVLPGSA-N 1 2 352.435 -1.317 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(=O)N(C)C)CC2)C1 ZINC001197681484 792368569 /nfs/dbraw/zinc/36/85/69/792368569.db2.gz NWGAGSSOJVAIKF-IVZWLZJFSA-N 1 2 355.395 -2.401 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(=O)N(C)C)CC2)C1 ZINC001197681484 792368563 /nfs/dbraw/zinc/36/85/63/792368563.db2.gz NWGAGSSOJVAIKF-IVZWLZJFSA-N 1 2 355.395 -2.401 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(=O)N(C)C)CC2)C1 ZINC001197681487 792368779 /nfs/dbraw/zinc/36/87/79/792368779.db2.gz NWGAGSSOJVAIKF-OPRDCNLKSA-N 1 2 355.395 -2.401 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(=O)N(C)C)CC2)C1 ZINC001197681487 792368773 /nfs/dbraw/zinc/36/87/73/792368773.db2.gz NWGAGSSOJVAIKF-OPRDCNLKSA-N 1 2 355.395 -2.401 20 0 FAADLO CN(C)C(=O)C1(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]2O)CC1 ZINC001197681810 792368700 /nfs/dbraw/zinc/36/87/00/792368700.db2.gz OSXFJBOWYHCYFW-CHWSQXEVSA-N 1 2 352.435 -1.362 20 0 FAADLO CN(C)C(=O)C1(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]2O)CC1 ZINC001197681810 792368688 /nfs/dbraw/zinc/36/86/88/792368688.db2.gz OSXFJBOWYHCYFW-CHWSQXEVSA-N 1 2 352.435 -1.362 20 0 FAADLO CN(C)C(=O)C1(C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@H]2O)CC1 ZINC001197681972 792369285 /nfs/dbraw/zinc/36/92/85/792369285.db2.gz SYAQXYMUJANBGC-CHWSQXEVSA-N 1 2 352.435 -1.363 20 0 FAADLO CN(C)C(=O)C1(C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@H]2O)CC1 ZINC001197681972 792369273 /nfs/dbraw/zinc/36/92/73/792369273.db2.gz SYAQXYMUJANBGC-CHWSQXEVSA-N 1 2 352.435 -1.363 20 0 FAADLO CN(C)C(=O)C1(C(=O)N[C@@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]2O)CC1 ZINC001197682541 792368648 /nfs/dbraw/zinc/36/86/48/792368648.db2.gz WONANLXTHNBKHZ-VXGBXAGGSA-N 1 2 354.451 -1.069 20 0 FAADLO CN(C)C(=O)C1(C(=O)N[C@@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@H]2O)CC1 ZINC001197682541 792368640 /nfs/dbraw/zinc/36/86/40/792368640.db2.gz WONANLXTHNBKHZ-VXGBXAGGSA-N 1 2 354.451 -1.069 20 0 FAADLO CN(C)C(=O)C1(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]2O)CC1 ZINC001197688856 792368999 /nfs/dbraw/zinc/36/89/99/792368999.db2.gz ARUKOYJBGJQDGI-GMTAPVOTSA-N 1 2 352.391 -2.179 20 0 FAADLO CN(C)C(=O)C1(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]2O)CC1 ZINC001197688856 792368990 /nfs/dbraw/zinc/36/89/90/792368990.db2.gz ARUKOYJBGJQDGI-GMTAPVOTSA-N 1 2 352.391 -2.179 20 0 FAADLO CN(C)C(=O)C1(C(=O)N[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]2O)CC1 ZINC001197688859 792368518 /nfs/dbraw/zinc/36/85/18/792368518.db2.gz ARUKOYJBGJQDGI-OUAUKWLOSA-N 1 2 352.391 -2.179 20 0 FAADLO CN(C)C(=O)C1(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]2O)CC1 ZINC001197688859 792368514 /nfs/dbraw/zinc/36/85/14/792368514.db2.gz ARUKOYJBGJQDGI-OUAUKWLOSA-N 1 2 352.391 -2.179 20 0 FAADLO CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3(C(=O)N(C)C)CC3)C2)C1=O ZINC001197688960 792368499 /nfs/dbraw/zinc/36/84/99/792368499.db2.gz CPTHMTOBFHLAMR-FRRDWIJNSA-N 1 2 352.435 -1.363 20 0 FAADLO CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3(C(=O)N(C)C)CC3)C2)C1=O ZINC001197688960 792368492 /nfs/dbraw/zinc/36/84/92/792368492.db2.gz CPTHMTOBFHLAMR-FRRDWIJNSA-N 1 2 352.435 -1.363 20 0 FAADLO CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3(C(=O)N(C)C)CC3)C2)C1=O ZINC001197688961 792368930 /nfs/dbraw/zinc/36/89/30/792368930.db2.gz CPTHMTOBFHLAMR-JHJVBQTASA-N 1 2 352.435 -1.363 20 0 FAADLO CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3(C(=O)N(C)C)CC3)C2)C1=O ZINC001197688961 792368918 /nfs/dbraw/zinc/36/89/18/792368918.db2.gz CPTHMTOBFHLAMR-JHJVBQTASA-N 1 2 352.435 -1.363 20 0 FAADLO 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CNC(=O)C[N@H+]1CCCN([C@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001197959642 792382686 /nfs/dbraw/zinc/38/26/86/792382686.db2.gz PVRVIOJLDDOCDT-ZIAGYGMSSA-N 1 2 353.467 -1.148 20 0 FAADLO CNC(=O)C[N@@H+]1CCCN([C@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001197959642 792382675 /nfs/dbraw/zinc/38/26/75/792382675.db2.gz PVRVIOJLDDOCDT-ZIAGYGMSSA-N 1 2 353.467 -1.148 20 0 FAADLO CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001197960229 792382547 /nfs/dbraw/zinc/38/25/47/792382547.db2.gz AETWJHOEKPPUSS-RBSFLKMASA-N 1 2 354.451 -1.069 20 0 FAADLO CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001197960229 792382536 /nfs/dbraw/zinc/38/25/36/792382536.db2.gz AETWJHOEKPPUSS-RBSFLKMASA-N 1 2 354.451 -1.069 20 0 FAADLO CC(=O)N[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1O)C(C)C ZINC001197967960 792383003 /nfs/dbraw/zinc/38/30/03/792383003.db2.gz MNZFXPAUZMBKEP-IIAWOOMASA-N 1 2 354.451 -1.069 20 0 FAADLO CC(=O)N[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1O)C(C)C ZINC001197967960 792382996 /nfs/dbraw/zinc/38/29/96/792382996.db2.gz MNZFXPAUZMBKEP-IIAWOOMASA-N 1 2 354.451 -1.069 20 0 FAADLO CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001197973966 792382894 /nfs/dbraw/zinc/38/28/94/792382894.db2.gz AETWJHOEKPPUSS-RRFJBIMHSA-N 1 2 354.451 -1.069 20 0 FAADLO CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001197973966 792382885 /nfs/dbraw/zinc/38/28/85/792382885.db2.gz AETWJHOEKPPUSS-RRFJBIMHSA-N 1 2 354.451 -1.069 20 0 FAADLO CC(=O)N[C@@H](C(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1O)C(C)C ZINC001197974610 792383685 /nfs/dbraw/zinc/38/36/85/792383685.db2.gz PLBMYLDBVKVAGK-JHJVBQTASA-N 1 2 364.468 -2.142 20 0 FAADLO CC(=O)N[C@@H](C(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1O)C(C)C ZINC001197974610 792383676 /nfs/dbraw/zinc/38/36/76/792383676.db2.gz PLBMYLDBVKVAGK-JHJVBQTASA-N 1 2 364.468 -2.142 20 0 FAADLO CC(=O)N[C@@H](C(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1O)C(C)C ZINC001197974981 792383780 /nfs/dbraw/zinc/38/37/80/792383780.db2.gz YDUQWLYENPXBSR-RBSFLKMASA-N 1 2 354.451 -1.165 20 0 FAADLO CC(=O)N[C@@H](C(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1O)C(C)C ZINC001197974981 792383768 /nfs/dbraw/zinc/38/37/68/792383768.db2.gz YDUQWLYENPXBSR-RBSFLKMASA-N 1 2 354.451 -1.165 20 0 FAADLO Cc1ccc(=O)n(CC(=O)N[C@@H]2C[N@@H+](CC(=O)NC(C)C)C[C@H]2O)n1 ZINC001197983122 792383946 /nfs/dbraw/zinc/38/39/46/792383946.db2.gz DFUOGBXXBLGMST-CHWSQXEVSA-N 1 2 351.407 -1.762 20 0 FAADLO Cc1ccc(=O)n(CC(=O)N[C@@H]2C[N@H+](CC(=O)NC(C)C)C[C@H]2O)n1 ZINC001197983122 792383939 /nfs/dbraw/zinc/38/39/39/792383939.db2.gz DFUOGBXXBLGMST-CHWSQXEVSA-N 1 2 351.407 -1.762 20 0 FAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nc(C)ccc2=O)C1 ZINC001197983840 792384304 /nfs/dbraw/zinc/38/43/04/792384304.db2.gz HOVWERFUQRNOCP-CHWSQXEVSA-N 1 2 351.407 -1.809 20 0 FAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nc(C)ccc2=O)C1 ZINC001197983840 792384293 /nfs/dbraw/zinc/38/42/93/792384293.db2.gz HOVWERFUQRNOCP-CHWSQXEVSA-N 1 2 351.407 -1.809 20 0 FAADLO CNC(=O)C1(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]2O)CCC1 ZINC001197996938 792385562 /nfs/dbraw/zinc/38/55/62/792385562.db2.gz OKHPVWOKAVMLLL-CHWSQXEVSA-N 1 2 352.435 -1.314 20 0 FAADLO CNC(=O)C1(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]2O)CCC1 ZINC001197996938 792385555 /nfs/dbraw/zinc/38/55/55/792385555.db2.gz OKHPVWOKAVMLLL-CHWSQXEVSA-N 1 2 352.435 -1.314 20 0 FAADLO CNC(=O)C1(C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@H]2O)CCC1 ZINC001197997034 792384787 /nfs/dbraw/zinc/38/47/87/792384787.db2.gz SXADWPIDFFWVKO-CHWSQXEVSA-N 1 2 352.435 -1.315 20 0 FAADLO CNC(=O)C1(C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@H]2O)CCC1 ZINC001197997034 792384776 /nfs/dbraw/zinc/38/47/76/792384776.db2.gz SXADWPIDFFWVKO-CHWSQXEVSA-N 1 2 352.435 -1.315 20 0 FAADLO CNC(=O)C1(C(=O)N[C@@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]2O)CCC1 ZINC001197997049 792385270 /nfs/dbraw/zinc/38/52/70/792385270.db2.gz USEODTLFDNAQMH-VXGBXAGGSA-N 1 2 354.451 -1.021 20 0 FAADLO CNC(=O)C1(C(=O)N[C@@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@H]2O)CCC1 ZINC001197997049 792385262 /nfs/dbraw/zinc/38/52/62/792385262.db2.gz USEODTLFDNAQMH-VXGBXAGGSA-N 1 2 354.451 -1.021 20 0 FAADLO CNC(=O)C1(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)NC3CC3)C[C@H]2O)CCC1 ZINC001198054760 792385059 /nfs/dbraw/zinc/38/50/59/792385059.db2.gz ADIMJLVYUMEJEV-CYZMBNFOSA-N 1 2 352.435 -1.269 20 0 FAADLO CNC(=O)C1(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC3CC3)C[C@H]2O)CCC1 ZINC001198054760 792385048 /nfs/dbraw/zinc/38/50/48/792385048.db2.gz ADIMJLVYUMEJEV-CYZMBNFOSA-N 1 2 352.435 -1.269 20 0 FAADLO CNC(=O)C1(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)NC3CC3)C[C@H]2O)CCC1 ZINC001198054762 792385453 /nfs/dbraw/zinc/38/54/53/792385453.db2.gz ADIMJLVYUMEJEV-RAIGVLPGSA-N 1 2 352.435 -1.269 20 0 FAADLO CNC(=O)C1(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)NC3CC3)C[C@H]2O)CCC1 ZINC001198054762 792385445 /nfs/dbraw/zinc/38/54/45/792385445.db2.gz ADIMJLVYUMEJEV-RAIGVLPGSA-N 1 2 352.435 -1.269 20 0 FAADLO CNC(=O)C1(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]2O)CCC1 ZINC001198054863 792384939 /nfs/dbraw/zinc/38/49/39/792384939.db2.gz CAHOSTGZISTVJA-GMTAPVOTSA-N 1 2 352.391 -2.131 20 0 FAADLO CNC(=O)C1(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]2O)CCC1 ZINC001198054863 792384929 /nfs/dbraw/zinc/38/49/29/792384929.db2.gz CAHOSTGZISTVJA-GMTAPVOTSA-N 1 2 352.391 -2.131 20 0 FAADLO CNC(=O)C1(C(=O)N[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]2O)CCC1 ZINC001198054865 792384876 /nfs/dbraw/zinc/38/48/76/792384876.db2.gz CAHOSTGZISTVJA-OUAUKWLOSA-N 1 2 352.391 -2.131 20 0 FAADLO CNC(=O)C1(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]2O)CCC1 ZINC001198054865 792384865 /nfs/dbraw/zinc/38/48/65/792384865.db2.gz CAHOSTGZISTVJA-OUAUKWLOSA-N 1 2 352.391 -2.131 20 0 FAADLO CCN(CC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(=O)NC)CCC2)C1 ZINC001198054900 792385028 /nfs/dbraw/zinc/38/50/28/792385028.db2.gz DMWQLCXZCFPQDL-CHWSQXEVSA-N 1 2 354.451 -1.068 20 0 FAADLO CCN(CC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(=O)NC)CCC2)C1 ZINC001198054900 792385019 /nfs/dbraw/zinc/38/50/19/792385019.db2.gz DMWQLCXZCFPQDL-CHWSQXEVSA-N 1 2 354.451 -1.068 20 0 FAADLO CNC(=O)C1(C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]2O)CCC1 ZINC001198055149 792385486 /nfs/dbraw/zinc/38/54/86/792385486.db2.gz HACIMPPAHMNHGP-CHWSQXEVSA-N 1 2 354.451 -1.069 20 0 FAADLO CNC(=O)C1(C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C(C)C)C[C@H]2O)CCC1 ZINC001198055149 792385478 /nfs/dbraw/zinc/38/54/78/792385478.db2.gz HACIMPPAHMNHGP-CHWSQXEVSA-N 1 2 354.451 -1.069 20 0 FAADLO CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3(C(=O)NC)CCC3)C2)C1=O ZINC001198055176 792385410 /nfs/dbraw/zinc/38/54/10/792385410.db2.gz IHOAQLYGBDEJJX-FRRDWIJNSA-N 1 2 352.435 -1.315 20 0 FAADLO CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3(C(=O)NC)CCC3)C2)C1=O ZINC001198055176 792385401 /nfs/dbraw/zinc/38/54/01/792385401.db2.gz IHOAQLYGBDEJJX-FRRDWIJNSA-N 1 2 352.435 -1.315 20 0 FAADLO CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3(C(=O)NC)CCC3)C2)C1=O ZINC001198055177 792385547 /nfs/dbraw/zinc/38/55/47/792385547.db2.gz IHOAQLYGBDEJJX-JHJVBQTASA-N 1 2 352.435 -1.315 20 0 FAADLO CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3(C(=O)NC)CCC3)C2)C1=O ZINC001198055177 792385544 /nfs/dbraw/zinc/38/55/44/792385544.db2.gz IHOAQLYGBDEJJX-JHJVBQTASA-N 1 2 352.435 -1.315 20 0 FAADLO CNC(=O)C1(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]2O)CCC1 ZINC001198055343 792384763 /nfs/dbraw/zinc/38/47/63/792384763.db2.gz KYDHERNNBGJRPY-IVZWLZJFSA-N 1 2 355.395 -2.353 20 0 FAADLO CNC(=O)C1(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]2O)CCC1 ZINC001198055343 792384758 /nfs/dbraw/zinc/38/47/58/792384758.db2.gz KYDHERNNBGJRPY-IVZWLZJFSA-N 1 2 355.395 -2.353 20 0 FAADLO 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Cn1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3NC(=O)NC3=O)C2)cn1 ZINC001198499858 792408407 /nfs/dbraw/zinc/40/84/07/792408407.db2.gz BXAAINRRWBHZDP-QJPTWQEYSA-N 1 2 350.379 -1.930 20 0 FAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001198499894 792408455 /nfs/dbraw/zinc/40/84/55/792408455.db2.gz CYUNDLUWHIVSDC-GMTAPVOTSA-N 1 2 355.395 -2.386 20 0 FAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001198499894 792408451 /nfs/dbraw/zinc/40/84/51/792408451.db2.gz CYUNDLUWHIVSDC-GMTAPVOTSA-N 1 2 355.395 -2.386 20 0 FAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001198499895 792407835 /nfs/dbraw/zinc/40/78/35/792407835.db2.gz CYUNDLUWHIVSDC-HBNTYKKESA-N 1 2 355.395 -2.386 20 0 FAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001198499895 792407832 /nfs/dbraw/zinc/40/78/32/792407832.db2.gz CYUNDLUWHIVSDC-HBNTYKKESA-N 1 2 355.395 -2.386 20 0 FAADLO O=C(CC[C@H]1NC(=O)NC1=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001198499984 792408108 /nfs/dbraw/zinc/40/81/08/792408108.db2.gz FGCHRRDTLAWQHE-GMTAPVOTSA-N 1 2 353.379 -2.586 20 0 FAADLO O=C(CC[C@H]1NC(=O)NC1=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001198499984 792408101 /nfs/dbraw/zinc/40/81/01/792408101.db2.gz FGCHRRDTLAWQHE-GMTAPVOTSA-N 1 2 353.379 -2.586 20 0 FAADLO O=C(CC[C@@H]1NC(=O)NC1=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001198499988 792408251 /nfs/dbraw/zinc/40/82/51/792408251.db2.gz FGCHRRDTLAWQHE-HBNTYKKESA-N 1 2 353.379 -2.586 20 0 FAADLO O=C(CC[C@@H]1NC(=O)NC1=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001198499988 792408245 /nfs/dbraw/zinc/40/82/45/792408245.db2.gz FGCHRRDTLAWQHE-HBNTYKKESA-N 1 2 353.379 -2.586 20 0 FAADLO Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@H]3NC(=O)NC3=O)C2)on1 ZINC001198500037 792408342 /nfs/dbraw/zinc/40/83/42/792408342.db2.gz FVYKHEKTRPYWMW-IJLUTSLNSA-N 1 2 351.363 -1.367 20 0 FAADLO Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@H]3NC(=O)NC3=O)C2)on1 ZINC001198500037 792408339 /nfs/dbraw/zinc/40/83/39/792408339.db2.gz FVYKHEKTRPYWMW-IJLUTSLNSA-N 1 2 351.363 -1.367 20 0 FAADLO Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3NC(=O)NC3=O)C2)on1 ZINC001198500039 792408149 /nfs/dbraw/zinc/40/81/49/792408149.db2.gz FVYKHEKTRPYWMW-QJPTWQEYSA-N 1 2 351.363 -1.367 20 0 FAADLO Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3NC(=O)NC3=O)C2)on1 ZINC001198500039 792408147 /nfs/dbraw/zinc/40/81/47/792408147.db2.gz FVYKHEKTRPYWMW-QJPTWQEYSA-N 1 2 351.363 -1.367 20 0 FAADLO Cc1nocc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001198500112 792409161 /nfs/dbraw/zinc/40/91/61/792409161.db2.gz GIISSUYTBCWWAL-IJLUTSLNSA-N 1 2 351.363 -1.367 20 0 FAADLO Cc1nocc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001198500112 792409155 /nfs/dbraw/zinc/40/91/55/792409155.db2.gz GIISSUYTBCWWAL-IJLUTSLNSA-N 1 2 351.363 -1.367 20 0 FAADLO Cc1nocc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001198500113 792409018 /nfs/dbraw/zinc/40/90/18/792409018.db2.gz GIISSUYTBCWWAL-QJPTWQEYSA-N 1 2 351.363 -1.367 20 0 FAADLO Cc1nocc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001198500113 792409014 /nfs/dbraw/zinc/40/90/14/792409014.db2.gz GIISSUYTBCWWAL-QJPTWQEYSA-N 1 2 351.363 -1.367 20 0 FAADLO Cn1c[nH+]cc1CN1C[C@@H](O)[C@H](NC(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001198500151 792408982 /nfs/dbraw/zinc/40/89/82/792408982.db2.gz HAGIBWYTUGEKES-IJLUTSLNSA-N 1 2 350.379 -1.930 20 0 FAADLO Cn1c[nH+]cc1CN1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001198500153 792409220 /nfs/dbraw/zinc/40/92/20/792409220.db2.gz HAGIBWYTUGEKES-QJPTWQEYSA-N 1 2 350.379 -1.930 20 0 FAADLO CCNC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCN2C(=O)CNC2=O)C1 ZINC001198500180 792409057 /nfs/dbraw/zinc/40/90/57/792409057.db2.gz HUGUFUANIIEMHX-GHMZBOCLSA-N 1 2 355.395 -2.384 20 0 FAADLO CCNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCN2C(=O)CNC2=O)C1 ZINC001198500180 792409052 /nfs/dbraw/zinc/40/90/52/792409052.db2.gz HUGUFUANIIEMHX-GHMZBOCLSA-N 1 2 355.395 -2.384 20 0 FAADLO CC(C)NC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001198500512 792408950 /nfs/dbraw/zinc/40/89/50/792408950.db2.gz KUMUAVWPMOFQKW-GMTAPVOTSA-N 1 2 355.395 -2.340 20 0 FAADLO CC(C)NC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001198500512 792408943 /nfs/dbraw/zinc/40/89/43/792408943.db2.gz KUMUAVWPMOFQKW-GMTAPVOTSA-N 1 2 355.395 -2.340 20 0 FAADLO CC(C)NC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001198500513 792409134 /nfs/dbraw/zinc/40/91/34/792409134.db2.gz KUMUAVWPMOFQKW-HBNTYKKESA-N 1 2 355.395 -2.340 20 0 FAADLO CC(C)NC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001198500513 792409128 /nfs/dbraw/zinc/40/91/28/792409128.db2.gz KUMUAVWPMOFQKW-HBNTYKKESA-N 1 2 355.395 -2.340 20 0 FAADLO Cc1oncc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001198500696 792408929 /nfs/dbraw/zinc/40/89/29/792408929.db2.gz NAHKITSOMWWUES-IJLUTSLNSA-N 1 2 351.363 -1.367 20 0 FAADLO Cc1oncc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001198500696 792408924 /nfs/dbraw/zinc/40/89/24/792408924.db2.gz NAHKITSOMWWUES-IJLUTSLNSA-N 1 2 351.363 -1.367 20 0 FAADLO Cc1oncc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001198500699 792409322 /nfs/dbraw/zinc/40/93/22/792409322.db2.gz NAHKITSOMWWUES-QJPTWQEYSA-N 1 2 351.363 -1.367 20 0 FAADLO Cc1oncc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001198500699 792409318 /nfs/dbraw/zinc/40/93/18/792409318.db2.gz NAHKITSOMWWUES-QJPTWQEYSA-N 1 2 351.363 -1.367 20 0 FAADLO O=C(CCCN1C(=O)CNC1=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001198500705 792409299 /nfs/dbraw/zinc/40/92/99/792409299.db2.gz NDHGQFBDHQNIGZ-GMTAPVOTSA-N 1 2 353.379 -2.632 20 0 FAADLO O=C(CCCN1C(=O)CNC1=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001198500705 792409291 /nfs/dbraw/zinc/40/92/91/792409291.db2.gz NDHGQFBDHQNIGZ-GMTAPVOTSA-N 1 2 353.379 -2.632 20 0 FAADLO O=C(CCCN1C(=O)CNC1=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001198500706 792408998 /nfs/dbraw/zinc/40/89/98/792408998.db2.gz NDHGQFBDHQNIGZ-OUAUKWLOSA-N 1 2 353.379 -2.632 20 0 FAADLO O=C(CCCN1C(=O)CNC1=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001198500706 792408994 /nfs/dbraw/zinc/40/89/94/792408994.db2.gz NDHGQFBDHQNIGZ-OUAUKWLOSA-N 1 2 353.379 -2.632 20 0 FAADLO C[C@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(N)=O)C1 ZINC001198501072 792410485 /nfs/dbraw/zinc/41/04/85/792410485.db2.gz TURFVQHGUACASX-JHJVBQTASA-N 1 2 355.439 -1.393 20 0 FAADLO C[C@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(N)=O)C1 ZINC001198501072 792410481 /nfs/dbraw/zinc/41/04/81/792410481.db2.gz TURFVQHGUACASX-JHJVBQTASA-N 1 2 355.439 -1.393 20 0 FAADLO C[C@@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(N)=O)C1 ZINC001198501073 792410402 /nfs/dbraw/zinc/41/04/02/792410402.db2.gz TURFVQHGUACASX-YNEHKIRRSA-N 1 2 355.439 -1.393 20 0 FAADLO C[C@@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(N)=O)C1 ZINC001198501073 792410398 /nfs/dbraw/zinc/41/03/98/792410398.db2.gz TURFVQHGUACASX-YNEHKIRRSA-N 1 2 355.439 -1.393 20 0 FAADLO C[C@@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(N)=O)C1 ZINC001198501292 792410339 /nfs/dbraw/zinc/41/03/39/792410339.db2.gz WGQMMAJRENSRQP-CYZMBNFOSA-N 1 2 355.439 -1.347 20 0 FAADLO C[C@@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(N)=O)C1 ZINC001198501292 792410335 /nfs/dbraw/zinc/41/03/35/792410335.db2.gz WGQMMAJRENSRQP-CYZMBNFOSA-N 1 2 355.439 -1.347 20 0 FAADLO C[C@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(N)=O)C1 ZINC001198501295 792410530 /nfs/dbraw/zinc/41/05/30/792410530.db2.gz WGQMMAJRENSRQP-RAIGVLPGSA-N 1 2 355.439 -1.347 20 0 FAADLO C[C@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(N)=O)C1 ZINC001198501295 792410527 /nfs/dbraw/zinc/41/05/27/792410527.db2.gz WGQMMAJRENSRQP-RAIGVLPGSA-N 1 2 355.439 -1.347 20 0 FAADLO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccccc2=O)C1 ZINC001198506493 792412257 /nfs/dbraw/zinc/41/22/57/792412257.db2.gz BFLUWYXAOZFYCE-ZIAGYGMSSA-N 1 2 350.419 -1.124 20 0 FAADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccccc2=O)C1 ZINC001198506493 792412256 /nfs/dbraw/zinc/41/22/56/792412256.db2.gz BFLUWYXAOZFYCE-ZIAGYGMSSA-N 1 2 350.419 -1.124 20 0 FAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCN2C(=O)CNC2=O)C1 ZINC001198506520 792412764 /nfs/dbraw/zinc/41/27/64/792412764.db2.gz CLMMGCNJCJTJTG-GMTAPVOTSA-N 1 2 355.395 -2.256 20 0 FAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCN2C(=O)CNC2=O)C1 ZINC001198506520 792412755 /nfs/dbraw/zinc/41/27/55/792412755.db2.gz CLMMGCNJCJTJTG-GMTAPVOTSA-N 1 2 355.395 -2.256 20 0 FAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCN2C(=O)CNC2=O)C1 ZINC001198506521 792412321 /nfs/dbraw/zinc/41/23/21/792412321.db2.gz CLMMGCNJCJTJTG-OUAUKWLOSA-N 1 2 355.395 -2.256 20 0 FAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCN2C(=O)CNC2=O)C1 ZINC001198506521 792412315 /nfs/dbraw/zinc/41/23/15/792412315.db2.gz CLMMGCNJCJTJTG-OUAUKWLOSA-N 1 2 355.395 -2.256 20 0 FAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCN2C(=O)CNC2=O)C1 ZINC001198507118 792412502 /nfs/dbraw/zinc/41/25/02/792412502.db2.gz IEWCYJKNMWSRDM-GMTAPVOTSA-N 1 2 355.395 -2.386 20 0 FAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCN2C(=O)CNC2=O)C1 ZINC001198507118 792412497 /nfs/dbraw/zinc/41/24/97/792412497.db2.gz IEWCYJKNMWSRDM-GMTAPVOTSA-N 1 2 355.395 -2.386 20 0 FAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCN2C(=O)CNC2=O)C1 ZINC001198507119 792412355 /nfs/dbraw/zinc/41/23/55/792412355.db2.gz IEWCYJKNMWSRDM-HBNTYKKESA-N 1 2 355.395 -2.386 20 0 FAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCN2C(=O)CNC2=O)C1 ZINC001198507119 792412350 /nfs/dbraw/zinc/41/23/50/792412350.db2.gz IEWCYJKNMWSRDM-HBNTYKKESA-N 1 2 355.395 -2.386 20 0 FAADLO Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@H]3NC(=O)NC3=O)C2)o1 ZINC001198507796 792412563 /nfs/dbraw/zinc/41/25/63/792412563.db2.gz LSLRSVUCTXUDCS-IJLUTSLNSA-N 1 2 351.363 -1.367 20 0 FAADLO Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@H]3NC(=O)NC3=O)C2)o1 ZINC001198507796 792412556 /nfs/dbraw/zinc/41/25/56/792412556.db2.gz LSLRSVUCTXUDCS-IJLUTSLNSA-N 1 2 351.363 -1.367 20 0 FAADLO Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3NC(=O)NC3=O)C2)o1 ZINC001198507797 792412674 /nfs/dbraw/zinc/41/26/74/792412674.db2.gz LSLRSVUCTXUDCS-QJPTWQEYSA-N 1 2 351.363 -1.367 20 0 FAADLO Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3NC(=O)NC3=O)C2)o1 ZINC001198507797 792412670 /nfs/dbraw/zinc/41/26/70/792412670.db2.gz LSLRSVUCTXUDCS-QJPTWQEYSA-N 1 2 351.363 -1.367 20 0 FAADLO Cc1ncoc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001198507831 792413515 /nfs/dbraw/zinc/41/35/15/792413515.db2.gz MTKXGCWSCCYMGE-GMTAPVOTSA-N 1 2 351.363 -1.367 20 0 FAADLO Cc1ncoc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001198507831 792413509 /nfs/dbraw/zinc/41/35/09/792413509.db2.gz MTKXGCWSCCYMGE-GMTAPVOTSA-N 1 2 351.363 -1.367 20 0 FAADLO Cc1ncoc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001198507832 792413641 /nfs/dbraw/zinc/41/36/41/792413641.db2.gz MTKXGCWSCCYMGE-HBNTYKKESA-N 1 2 351.363 -1.367 20 0 FAADLO Cc1ncoc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001198507832 792413634 /nfs/dbraw/zinc/41/36/34/792413634.db2.gz MTKXGCWSCCYMGE-HBNTYKKESA-N 1 2 351.363 -1.367 20 0 FAADLO CCN(CC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccccc2=O)C1 ZINC001198507904 792413431 /nfs/dbraw/zinc/41/34/31/792413431.db2.gz NXRZNQYOSBQVCP-ZIAGYGMSSA-N 1 2 350.419 -1.122 20 0 FAADLO CCN(CC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccccc2=O)C1 ZINC001198507904 792413429 /nfs/dbraw/zinc/41/34/29/792413429.db2.gz NXRZNQYOSBQVCP-ZIAGYGMSSA-N 1 2 350.419 -1.122 20 0 FAADLO CC(C)(C)NC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccccc2=O)C1 ZINC001198508487 792414075 /nfs/dbraw/zinc/41/40/75/792414075.db2.gz VIRFKIRJMHSYGF-CHWSQXEVSA-N 1 2 350.419 -1.076 20 0 FAADLO CC(C)(C)NC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccccc2=O)C1 ZINC001198508487 792414070 /nfs/dbraw/zinc/41/40/70/792414070.db2.gz VIRFKIRJMHSYGF-CHWSQXEVSA-N 1 2 350.419 -1.076 20 0 FAADLO O=C(CC[C@H]1NC(=O)NC1=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1O ZINC001198508905 792413743 /nfs/dbraw/zinc/41/37/43/792413743.db2.gz ZTJDTNGKACCWND-GMTAPVOTSA-N 1 2 353.404 -1.207 20 0 FAADLO O=C(CC[C@H]1NC(=O)NC1=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1O ZINC001198508905 792413741 /nfs/dbraw/zinc/41/37/41/792413741.db2.gz ZTJDTNGKACCWND-GMTAPVOTSA-N 1 2 353.404 -1.207 20 0 FAADLO O=C(CC[C@@H]1NC(=O)NC1=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1O ZINC001198508906 792413695 /nfs/dbraw/zinc/41/36/95/792413695.db2.gz ZTJDTNGKACCWND-HBNTYKKESA-N 1 2 353.404 -1.207 20 0 FAADLO O=C(CC[C@@H]1NC(=O)NC1=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1O ZINC001198508906 792413691 /nfs/dbraw/zinc/41/36/91/792413691.db2.gz ZTJDTNGKACCWND-HBNTYKKESA-N 1 2 353.404 -1.207 20 0 FAADLO C[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccccc2=O)C1)CS(C)(=O)=O ZINC001198512936 792414035 /nfs/dbraw/zinc/41/40/35/792414035.db2.gz CKHGARCLJKRQSB-BFHYXJOUSA-N 1 2 371.459 -1.310 20 0 FAADLO C[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccccc2=O)C1)CS(C)(=O)=O ZINC001198512936 792414030 /nfs/dbraw/zinc/41/40/30/792414030.db2.gz CKHGARCLJKRQSB-BFHYXJOUSA-N 1 2 371.459 -1.310 20 0 FAADLO C[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccccc2=O)C1)CS(C)(=O)=O ZINC001198512943 792413384 /nfs/dbraw/zinc/41/33/84/792413384.db2.gz CKHGARCLJKRQSB-MGPQQGTHSA-N 1 2 371.459 -1.310 20 0 FAADLO C[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccccc2=O)C1)CS(C)(=O)=O ZINC001198512943 792413377 /nfs/dbraw/zinc/41/33/77/792413377.db2.gz CKHGARCLJKRQSB-MGPQQGTHSA-N 1 2 371.459 -1.310 20 0 FAADLO CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccccc2=O)C1 ZINC001198513858 792413817 /nfs/dbraw/zinc/41/38/17/792413817.db2.gz NDTYRJLUQFJRKH-BFHYXJOUSA-N 1 2 350.419 -1.076 20 0 FAADLO CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccccc2=O)C1 ZINC001198513858 792413812 /nfs/dbraw/zinc/41/38/12/792413812.db2.gz NDTYRJLUQFJRKH-BFHYXJOUSA-N 1 2 350.419 -1.076 20 0 FAADLO CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccccc2=O)C1 ZINC001198513860 792413995 /nfs/dbraw/zinc/41/39/95/792413995.db2.gz NDTYRJLUQFJRKH-MGPQQGTHSA-N 1 2 350.419 -1.076 20 0 FAADLO CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccccc2=O)C1 ZINC001198513860 792413992 /nfs/dbraw/zinc/41/39/92/792413992.db2.gz NDTYRJLUQFJRKH-MGPQQGTHSA-N 1 2 350.419 -1.076 20 0 FAADLO CS(=O)(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccccc2=O)C1 ZINC001198514156 792414107 /nfs/dbraw/zinc/41/41/07/792414107.db2.gz QEILTKVLFNIWCA-VXGBXAGGSA-N 1 2 358.420 -2.441 20 0 FAADLO CS(=O)(=O)NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccccc2=O)C1 ZINC001198514156 792414103 /nfs/dbraw/zinc/41/41/03/792414103.db2.gz QEILTKVLFNIWCA-VXGBXAGGSA-N 1 2 358.420 -2.441 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccccc2=O)C1 ZINC001198514736 792413611 /nfs/dbraw/zinc/41/36/11/792413611.db2.gz WWWCBJUGIIRPOQ-GMTAPVOTSA-N 1 2 351.363 -2.407 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccccc2=O)C1 ZINC001198514736 792413605 /nfs/dbraw/zinc/41/36/05/792413605.db2.gz WWWCBJUGIIRPOQ-GMTAPVOTSA-N 1 2 351.363 -2.407 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccccc2=O)C1 ZINC001198514740 792413680 /nfs/dbraw/zinc/41/36/80/792413680.db2.gz WWWCBJUGIIRPOQ-HBNTYKKESA-N 1 2 351.363 -2.407 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccccc2=O)C1 ZINC001198514740 792413676 /nfs/dbraw/zinc/41/36/76/792413676.db2.gz WWWCBJUGIIRPOQ-HBNTYKKESA-N 1 2 351.363 -2.407 20 0 FAADLO Cc1n[nH]c(C)c1CC(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001198541710 792414644 /nfs/dbraw/zinc/41/46/44/792414644.db2.gz GVAUCNVBRUFMAF-CHWSQXEVSA-N 1 2 359.452 -1.720 20 0 FAADLO Cc1n[nH]c(C)c1CC(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001198541710 792414640 /nfs/dbraw/zinc/41/46/40/792414640.db2.gz GVAUCNVBRUFMAF-CHWSQXEVSA-N 1 2 359.452 -1.720 20 0 FAADLO Cc1n[nH]c(C)c1CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001198550331 792414824 /nfs/dbraw/zinc/41/48/24/792414824.db2.gz AWGDCESYJZXYGJ-MVWJERBFSA-N 1 2 352.395 -1.686 20 0 FAADLO Cc1n[nH]c(C)c1CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001198550331 792414820 /nfs/dbraw/zinc/41/48/20/792414820.db2.gz AWGDCESYJZXYGJ-MVWJERBFSA-N 1 2 352.395 -1.686 20 0 FAADLO Cc1n[nH]c(C)c1CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001198550332 792416160 /nfs/dbraw/zinc/41/61/60/792416160.db2.gz AWGDCESYJZXYGJ-YUSALJHKSA-N 1 2 352.395 -1.686 20 0 FAADLO Cc1n[nH]c(C)c1CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001198550332 792416153 /nfs/dbraw/zinc/41/61/53/792416153.db2.gz AWGDCESYJZXYGJ-YUSALJHKSA-N 1 2 352.395 -1.686 20 0 FAADLO Cc1noc(C)c1CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001198559285 792413363 /nfs/dbraw/zinc/41/33/63/792413363.db2.gz RZLZTIJDAWOCPD-GGZOMVNGSA-N 1 2 353.379 -1.421 20 0 FAADLO Cc1noc(C)c1CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001198559285 792413359 /nfs/dbraw/zinc/41/33/59/792413359.db2.gz RZLZTIJDAWOCPD-GGZOMVNGSA-N 1 2 353.379 -1.421 20 0 FAADLO Cc1noc(C)c1CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001198559286 792413728 /nfs/dbraw/zinc/41/37/28/792413728.db2.gz RZLZTIJDAWOCPD-XXILOJSOSA-N 1 2 353.379 -1.421 20 0 FAADLO Cc1noc(C)c1CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001198559286 792413725 /nfs/dbraw/zinc/41/37/25/792413725.db2.gz RZLZTIJDAWOCPD-XXILOJSOSA-N 1 2 353.379 -1.421 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)C(C)(C)C)C1 ZINC001198564418 792414898 /nfs/dbraw/zinc/41/48/98/792414898.db2.gz ADDJATHWQPYSTI-IVZWLZJFSA-N 1 2 357.411 -2.107 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)C(C)(C)C)C1 ZINC001198564418 792414893 /nfs/dbraw/zinc/41/48/93/792414893.db2.gz ADDJATHWQPYSTI-IVZWLZJFSA-N 1 2 357.411 -2.107 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)C(C)(C)C)C1 ZINC001198564419 792414786 /nfs/dbraw/zinc/41/47/86/792414786.db2.gz ADDJATHWQPYSTI-OPRDCNLKSA-N 1 2 357.411 -2.107 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)C(C)(C)C)C1 ZINC001198564419 792414782 /nfs/dbraw/zinc/41/47/82/792414782.db2.gz ADDJATHWQPYSTI-OPRDCNLKSA-N 1 2 357.411 -2.107 20 0 FAADLO Cc1csc(=O)n1CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001198564472 792414869 /nfs/dbraw/zinc/41/48/69/792414869.db2.gz CBXWUQRKXQFZLZ-IVZWLZJFSA-N 1 2 371.419 -2.037 20 0 FAADLO Cc1csc(=O)n1CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001198564472 792414865 /nfs/dbraw/zinc/41/48/65/792414865.db2.gz CBXWUQRKXQFZLZ-IVZWLZJFSA-N 1 2 371.419 -2.037 20 0 FAADLO Cc1csc(=O)n1CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001198564473 792414979 /nfs/dbraw/zinc/41/49/79/792414979.db2.gz CBXWUQRKXQFZLZ-OPRDCNLKSA-N 1 2 371.419 -2.037 20 0 FAADLO Cc1csc(=O)n1CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001198564473 792414973 /nfs/dbraw/zinc/41/49/73/792414973.db2.gz CBXWUQRKXQFZLZ-OPRDCNLKSA-N 1 2 371.419 -2.037 20 0 FAADLO CC(C)(C)C(=O)NCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001198564535 792414688 /nfs/dbraw/zinc/41/46/88/792414688.db2.gz FGBKFLZDAGUJOJ-CHWSQXEVSA-N 1 2 354.451 -1.068 20 0 FAADLO CC(C)(C)C(=O)NCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001198564535 792414684 /nfs/dbraw/zinc/41/46/84/792414684.db2.gz FGBKFLZDAGUJOJ-CHWSQXEVSA-N 1 2 354.451 -1.068 20 0 FAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCNC(=O)c2ccco2)C1 ZINC001198564745 792415260 /nfs/dbraw/zinc/41/52/60/792415260.db2.gz KRXLFZCFPPFGLN-IJLUTSLNSA-N 1 2 352.391 -1.175 20 0 FAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCNC(=O)c2ccco2)C1 ZINC001198564745 792415252 /nfs/dbraw/zinc/41/52/52/792415252.db2.gz KRXLFZCFPPFGLN-IJLUTSLNSA-N 1 2 352.391 -1.175 20 0 FAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCNC(=O)c2ccco2)C1 ZINC001198564746 792414719 /nfs/dbraw/zinc/41/47/19/792414719.db2.gz KRXLFZCFPPFGLN-QJPTWQEYSA-N 1 2 352.391 -1.175 20 0 FAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCNC(=O)c2ccco2)C1 ZINC001198564746 792414713 /nfs/dbraw/zinc/41/47/13/792414713.db2.gz KRXLFZCFPPFGLN-QJPTWQEYSA-N 1 2 352.391 -1.175 20 0 FAADLO CN(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)C(C)(C)C)C1)C1CC1 ZINC001198564937 792415061 /nfs/dbraw/zinc/41/50/61/792415061.db2.gz OXHWDOWOPBOPOJ-CHWSQXEVSA-N 1 2 354.451 -1.069 20 0 FAADLO 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NC(=O)CCCC(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001199449629 792459256 /nfs/dbraw/zinc/45/92/56/792459256.db2.gz AYFHAOVPGIGZEJ-VXGBXAGGSA-N 1 2 362.452 -2.161 20 0 FAADLO NC(=O)CCCC(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001199449629 792459250 /nfs/dbraw/zinc/45/92/50/792459250.db2.gz AYFHAOVPGIGZEJ-VXGBXAGGSA-N 1 2 362.452 -2.161 20 0 FAADLO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC(N)=O)C1 ZINC001199450726 792459666 /nfs/dbraw/zinc/45/96/66/792459666.db2.gz MXMFPVUGOBKNQW-GMTAPVOTSA-N 1 2 357.411 -1.963 20 0 FAADLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC(N)=O)C1 ZINC001199450726 792459661 /nfs/dbraw/zinc/45/96/61/792459661.db2.gz MXMFPVUGOBKNQW-GMTAPVOTSA-N 1 2 357.411 -1.963 20 0 FAADLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC(N)=O)C1 ZINC001199450728 792459476 /nfs/dbraw/zinc/45/94/76/792459476.db2.gz MXMFPVUGOBKNQW-HBNTYKKESA-N 1 2 357.411 -1.963 20 0 FAADLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC(N)=O)C1 ZINC001199450728 792459470 /nfs/dbraw/zinc/45/94/70/792459470.db2.gz MXMFPVUGOBKNQW-HBNTYKKESA-N 1 2 357.411 -1.963 20 0 FAADLO NC(=O)CCCC(=O)N[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1O ZINC001199451172 792459381 /nfs/dbraw/zinc/45/93/81/792459381.db2.gz OTYVKUIROPXMFA-CHWSQXEVSA-N 1 2 361.464 -1.372 20 0 FAADLO NC(=O)CCCC(=O)N[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1O ZINC001199451172 792459379 /nfs/dbraw/zinc/45/93/79/792459379.db2.gz OTYVKUIROPXMFA-CHWSQXEVSA-N 1 2 361.464 -1.372 20 0 FAADLO NC(=O)CCCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001199451219 792459630 /nfs/dbraw/zinc/45/96/30/792459630.db2.gz QLNQRWLKCDPFFT-JHJVBQTASA-N 1 2 361.464 -1.372 20 0 FAADLO NC(=O)CCCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001199451219 792459626 /nfs/dbraw/zinc/45/96/26/792459626.db2.gz QLNQRWLKCDPFFT-JHJVBQTASA-N 1 2 361.464 -1.372 20 0 FAADLO NC(=O)CCCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001199451220 792459289 /nfs/dbraw/zinc/45/92/89/792459289.db2.gz QLNQRWLKCDPFFT-YNEHKIRRSA-N 1 2 361.464 -1.372 20 0 FAADLO NC(=O)CCCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001199451220 792459282 /nfs/dbraw/zinc/45/92/82/792459282.db2.gz QLNQRWLKCDPFFT-YNEHKIRRSA-N 1 2 361.464 -1.372 20 0 FAADLO CN(CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC(N)=O)C1)S(C)(=O)=O ZINC001199451477 792459357 /nfs/dbraw/zinc/45/93/57/792459357.db2.gz ZAHUBIMIQMOXJX-GHMZBOCLSA-N 1 2 350.441 -2.305 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC(N)=O)C1)S(C)(=O)=O ZINC001199451477 792459353 /nfs/dbraw/zinc/45/93/53/792459353.db2.gz ZAHUBIMIQMOXJX-GHMZBOCLSA-N 1 2 350.441 -2.305 20 0 FAADLO C[C@@H]1CN(C(=O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCCC(N)=O)C2)CCO1 ZINC001199459562 792459551 /nfs/dbraw/zinc/45/95/51/792459551.db2.gz SGCMMLAEHSXJTQ-JHJVBQTASA-N 1 2 356.423 -1.949 20 0 FAADLO C[C@@H]1CN(C(=O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCC(N)=O)C2)CCO1 ZINC001199459562 792459547 /nfs/dbraw/zinc/45/95/47/792459547.db2.gz SGCMMLAEHSXJTQ-JHJVBQTASA-N 1 2 356.423 -1.949 20 0 FAADLO C[C@H]1CN(C(=O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCCC(N)=O)C2)CCO1 ZINC001199459566 792459493 /nfs/dbraw/zinc/45/94/93/792459493.db2.gz SGCMMLAEHSXJTQ-YNEHKIRRSA-N 1 2 356.423 -1.949 20 0 FAADLO C[C@H]1CN(C(=O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCC(N)=O)C2)CCO1 ZINC001199459566 792459489 /nfs/dbraw/zinc/45/94/89/792459489.db2.gz SGCMMLAEHSXJTQ-YNEHKIRRSA-N 1 2 356.423 -1.949 20 0 FAADLO NC(=O)CCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1O ZINC001199459854 792459744 /nfs/dbraw/zinc/45/97/44/792459744.db2.gz UOVBETMBHBKLGM-HZSPNIEDSA-N 1 2 352.435 -1.043 20 0 FAADLO NC(=O)CCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1O ZINC001199459854 792459737 /nfs/dbraw/zinc/45/97/37/792459737.db2.gz UOVBETMBHBKLGM-HZSPNIEDSA-N 1 2 352.435 -1.043 20 0 FAADLO NC(=O)CCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1O ZINC001199459855 792459770 /nfs/dbraw/zinc/45/97/70/792459770.db2.gz UOVBETMBHBKLGM-MGPQQGTHSA-N 1 2 352.435 -1.043 20 0 FAADLO NC(=O)CCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1O ZINC001199459855 792459767 /nfs/dbraw/zinc/45/97/67/792459767.db2.gz UOVBETMBHBKLGM-MGPQQGTHSA-N 1 2 352.435 -1.043 20 0 FAADLO NC(=O)CCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1O ZINC001199459934 792460803 /nfs/dbraw/zinc/46/08/03/792460803.db2.gz XMKNKRROBHGNHG-JHJVBQTASA-N 1 2 361.464 -1.372 20 0 FAADLO NC(=O)CCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1O ZINC001199459934 792460798 /nfs/dbraw/zinc/46/07/98/792460798.db2.gz XMKNKRROBHGNHG-JHJVBQTASA-N 1 2 361.464 -1.372 20 0 FAADLO NC(=O)CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1O ZINC001199459935 792460709 /nfs/dbraw/zinc/46/07/09/792460709.db2.gz XMKNKRROBHGNHG-YNEHKIRRSA-N 1 2 361.464 -1.372 20 0 FAADLO NC(=O)CCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1O ZINC001199459935 792460705 /nfs/dbraw/zinc/46/07/05/792460705.db2.gz XMKNKRROBHGNHG-YNEHKIRRSA-N 1 2 361.464 -1.372 20 0 FAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)[C@H]2CCCO2)C1 ZINC001199465671 792460946 /nfs/dbraw/zinc/46/09/46/792460946.db2.gz AOHQNLGHVZMWJN-JHJVBQTASA-N 1 2 356.423 -2.079 20 0 FAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)[C@H]2CCCO2)C1 ZINC001199465671 792460942 /nfs/dbraw/zinc/46/09/42/792460942.db2.gz AOHQNLGHVZMWJN-JHJVBQTASA-N 1 2 356.423 -2.079 20 0 FAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)[C@@H]2CCCO2)C1 ZINC001199465676 792460875 /nfs/dbraw/zinc/46/08/75/792460875.db2.gz AOHQNLGHVZMWJN-UPJWGTAASA-N 1 2 356.423 -2.079 20 0 FAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)[C@@H]2CCCO2)C1 ZINC001199465676 792460869 /nfs/dbraw/zinc/46/08/69/792460869.db2.gz AOHQNLGHVZMWJN-UPJWGTAASA-N 1 2 356.423 -2.079 20 0 FAADLO CCNC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)[C@H]2CCCO2)C1 ZINC001199467066 792460396 /nfs/dbraw/zinc/46/03/96/792460396.db2.gz PZKQVJPLJYQGTN-JHJVBQTASA-N 1 2 356.423 -2.031 20 0 FAADLO CCNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)[C@H]2CCCO2)C1 ZINC001199467066 792460391 /nfs/dbraw/zinc/46/03/91/792460391.db2.gz PZKQVJPLJYQGTN-JHJVBQTASA-N 1 2 356.423 -2.031 20 0 FAADLO CCNC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)[C@@H]2CCCO2)C1 ZINC001199467071 792460411 /nfs/dbraw/zinc/46/04/11/792460411.db2.gz PZKQVJPLJYQGTN-UPJWGTAASA-N 1 2 356.423 -2.031 20 0 FAADLO CCNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)[C@@H]2CCCO2)C1 ZINC001199467071 792460408 /nfs/dbraw/zinc/46/04/08/792460408.db2.gz PZKQVJPLJYQGTN-UPJWGTAASA-N 1 2 356.423 -2.031 20 0 FAADLO CC(C)CC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001199472761 792460603 /nfs/dbraw/zinc/46/06/03/792460603.db2.gz BTBCZOAMQPPMPE-ZIAGYGMSSA-N 1 2 354.451 -1.068 20 0 FAADLO CC(C)CC(=O)NCCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001199472761 792460598 /nfs/dbraw/zinc/46/05/98/792460598.db2.gz BTBCZOAMQPPMPE-ZIAGYGMSSA-N 1 2 354.451 -1.068 20 0 FAADLO CC(C)CC(=O)NCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001199472781 792460459 /nfs/dbraw/zinc/46/04/59/792460459.db2.gz CPZLIZRPMGFELX-HZSPNIEDSA-N 1 2 354.451 -1.021 20 0 FAADLO CC(C)CC(=O)NCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001199472781 792460454 /nfs/dbraw/zinc/46/04/54/792460454.db2.gz CPZLIZRPMGFELX-HZSPNIEDSA-N 1 2 354.451 -1.021 20 0 FAADLO CC(C)CC(=O)NCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001199472782 792460432 /nfs/dbraw/zinc/46/04/32/792460432.db2.gz CPZLIZRPMGFELX-MGPQQGTHSA-N 1 2 354.451 -1.021 20 0 FAADLO CC(C)CC(=O)NCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001199472782 792460427 /nfs/dbraw/zinc/46/04/27/792460427.db2.gz CPZLIZRPMGFELX-MGPQQGTHSA-N 1 2 354.451 -1.021 20 0 FAADLO CC(C)CC(=O)NCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001199473933 792460919 /nfs/dbraw/zinc/46/09/19/792460919.db2.gz LBDINPJRKCGWCV-HZSPNIEDSA-N 1 2 354.451 -1.069 20 0 FAADLO CC(C)CC(=O)NCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001199473933 792460911 /nfs/dbraw/zinc/46/09/11/792460911.db2.gz LBDINPJRKCGWCV-HZSPNIEDSA-N 1 2 354.451 -1.069 20 0 FAADLO CC(C)CC(=O)NCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001199473934 792460619 /nfs/dbraw/zinc/46/06/19/792460619.db2.gz LBDINPJRKCGWCV-MGPQQGTHSA-N 1 2 354.451 -1.069 20 0 FAADLO CC(C)CC(=O)NCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001199473934 792460616 /nfs/dbraw/zinc/46/06/16/792460616.db2.gz LBDINPJRKCGWCV-MGPQQGTHSA-N 1 2 354.451 -1.069 20 0 FAADLO O=C(COC[C@H]1CCCO1)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001199474593 792461807 /nfs/dbraw/zinc/46/18/07/792461807.db2.gz QFJJVFWVPRXFOL-RBSFLKMASA-N 1 2 355.435 -1.034 20 0 FAADLO O=C(COC[C@H]1CCCO1)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001199474593 792461802 /nfs/dbraw/zinc/46/18/02/792461802.db2.gz QFJJVFWVPRXFOL-RBSFLKMASA-N 1 2 355.435 -1.034 20 0 FAADLO O=C(COC[C@@H]1CCCO1)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001199474594 792461667 /nfs/dbraw/zinc/46/16/67/792461667.db2.gz QFJJVFWVPRXFOL-RRFJBIMHSA-N 1 2 355.435 -1.034 20 0 FAADLO O=C(COC[C@@H]1CCCO1)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001199474594 792461662 /nfs/dbraw/zinc/46/16/62/792461662.db2.gz QFJJVFWVPRXFOL-RRFJBIMHSA-N 1 2 355.435 -1.034 20 0 FAADLO CC(C)CC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001199475609 792462735 /nfs/dbraw/zinc/46/27/35/792462735.db2.gz XWBMRQAMQNDDPY-ZIAGYGMSSA-N 1 2 354.451 -1.021 20 0 FAADLO CC(C)CC(=O)NCCC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001199475609 792462733 /nfs/dbraw/zinc/46/27/33/792462733.db2.gz XWBMRQAMQNDDPY-ZIAGYGMSSA-N 1 2 354.451 -1.021 20 0 FAADLO CN(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@H]2CCCO2)C1)C1CC1 ZINC001199475653 792462795 /nfs/dbraw/zinc/46/27/95/792462795.db2.gz YZEWNUZVXUASPY-RBSFLKMASA-N 1 2 355.435 -1.036 20 0 FAADLO CN(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@H]2CCCO2)C1)C1CC1 ZINC001199475653 792462791 /nfs/dbraw/zinc/46/27/91/792462791.db2.gz YZEWNUZVXUASPY-RBSFLKMASA-N 1 2 355.435 -1.036 20 0 FAADLO CN(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@@H]2CCCO2)C1)C1CC1 ZINC001199475655 792463044 /nfs/dbraw/zinc/46/30/44/792463044.db2.gz YZEWNUZVXUASPY-RRFJBIMHSA-N 1 2 355.435 -1.036 20 0 FAADLO CN(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@@H]2CCCO2)C1)C1CC1 ZINC001199475655 792463037 /nfs/dbraw/zinc/46/30/37/792463037.db2.gz YZEWNUZVXUASPY-RRFJBIMHSA-N 1 2 355.435 -1.036 20 0 FAADLO O=C(COC[C@H]1CCCO1)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001199475676 792462870 /nfs/dbraw/zinc/46/28/70/792462870.db2.gz ZDWGTANVJNKETF-RBSFLKMASA-N 1 2 355.435 -1.131 20 0 FAADLO O=C(COC[C@H]1CCCO1)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001199475676 792462861 /nfs/dbraw/zinc/46/28/61/792462861.db2.gz ZDWGTANVJNKETF-RBSFLKMASA-N 1 2 355.435 -1.131 20 0 FAADLO O=C(COC[C@@H]1CCCO1)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001199475679 792462696 /nfs/dbraw/zinc/46/26/96/792462696.db2.gz ZDWGTANVJNKETF-RRFJBIMHSA-N 1 2 355.435 -1.131 20 0 FAADLO O=C(COC[C@@H]1CCCO1)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001199475679 792462693 /nfs/dbraw/zinc/46/26/93/792462693.db2.gz ZDWGTANVJNKETF-RRFJBIMHSA-N 1 2 355.435 -1.131 20 0 FAADLO CCn1nc(C)c(C(=O)N[C@@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]2O)n1 ZINC001199489338 792460739 /nfs/dbraw/zinc/46/07/39/792460739.db2.gz IPQMRGRKWBRORC-CHWSQXEVSA-N 1 2 350.423 -1.092 20 0 FAADLO CCn1nc(C)c(C(=O)N[C@@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]2O)n1 ZINC001199489338 792460732 /nfs/dbraw/zinc/46/07/32/792460732.db2.gz IPQMRGRKWBRORC-CHWSQXEVSA-N 1 2 350.423 -1.092 20 0 FAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)C2CCC2)C1 ZINC001199498145 792461731 /nfs/dbraw/zinc/46/17/31/792461731.db2.gz KZKLENKFVUJQBA-IACUBPJLSA-N 1 2 354.451 -1.069 20 0 FAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)C2CCC2)C1 ZINC001199498145 792461724 /nfs/dbraw/zinc/46/17/24/792461724.db2.gz KZKLENKFVUJQBA-IACUBPJLSA-N 1 2 354.451 -1.069 20 0 FAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)C2CCC2)C1 ZINC001199498146 792461636 /nfs/dbraw/zinc/46/16/36/792461636.db2.gz KZKLENKFVUJQBA-MRVWCRGKSA-N 1 2 354.451 -1.069 20 0 FAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)C2CCC2)C1 ZINC001199498146 792461629 /nfs/dbraw/zinc/46/16/29/792461629.db2.gz KZKLENKFVUJQBA-MRVWCRGKSA-N 1 2 354.451 -1.069 20 0 FAADLO C[C@H](NC(=O)C1CCC1)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001199498710 792461589 /nfs/dbraw/zinc/46/15/89/792461589.db2.gz RLKVLTBRRWPXGH-IACUBPJLSA-N 1 2 352.435 -1.315 20 0 FAADLO C[C@H](NC(=O)C1CCC1)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001199498710 792461583 /nfs/dbraw/zinc/46/15/83/792461583.db2.gz RLKVLTBRRWPXGH-IACUBPJLSA-N 1 2 352.435 -1.315 20 0 FAADLO C[C@@H](NC(=O)C1CCC1)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001199498714 792461939 /nfs/dbraw/zinc/46/19/39/792461939.db2.gz RLKVLTBRRWPXGH-MRVWCRGKSA-N 1 2 352.435 -1.315 20 0 FAADLO C[C@@H](NC(=O)C1CCC1)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001199498714 792461923 /nfs/dbraw/zinc/46/19/23/792461923.db2.gz RLKVLTBRRWPXGH-MRVWCRGKSA-N 1 2 352.435 -1.315 20 0 FAADLO CC(=O)N[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O)C(C)(C)C ZINC001199506163 792462625 /nfs/dbraw/zinc/46/26/25/792462625.db2.gz PTAYARHQZROTLP-UMVBOHGHSA-N 1 2 354.451 -1.069 20 0 FAADLO CC(=O)N[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O)C(C)(C)C ZINC001199506163 792462622 /nfs/dbraw/zinc/46/26/22/792462622.db2.gz PTAYARHQZROTLP-UMVBOHGHSA-N 1 2 354.451 -1.069 20 0 FAADLO CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cn(C)nn2)C1 ZINC001199506243 792463019 /nfs/dbraw/zinc/46/30/19/792463019.db2.gz QZFZMPBHFOVOKU-IACUBPJLSA-N 1 2 352.439 -1.176 20 0 FAADLO CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cn(C)nn2)C1 ZINC001199506243 792463012 /nfs/dbraw/zinc/46/30/12/792463012.db2.gz QZFZMPBHFOVOKU-IACUBPJLSA-N 1 2 352.439 -1.176 20 0 FAADLO CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cn(C)nn2)C1 ZINC001199506245 792462932 /nfs/dbraw/zinc/46/29/32/792462932.db2.gz QZFZMPBHFOVOKU-MRVWCRGKSA-N 1 2 352.439 -1.176 20 0 FAADLO CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cn(C)nn2)C1 ZINC001199506245 792462927 /nfs/dbraw/zinc/46/29/27/792462927.db2.gz QZFZMPBHFOVOKU-MRVWCRGKSA-N 1 2 352.439 -1.176 20 0 FAADLO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cn(C)nn2)C1 ZINC001199506573 792462662 /nfs/dbraw/zinc/46/26/62/792462662.db2.gz SFQBPZUHBUYUKC-LERXQTSPSA-N 1 2 350.423 -1.424 20 0 FAADLO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cn(C)nn2)C1 ZINC001199506573 792462657 /nfs/dbraw/zinc/46/26/57/792462657.db2.gz SFQBPZUHBUYUKC-LERXQTSPSA-N 1 2 350.423 -1.424 20 0 FAADLO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cn(C)nn2)C1 ZINC001199506576 792462911 /nfs/dbraw/zinc/46/29/11/792462911.db2.gz SFQBPZUHBUYUKC-ZLKJLUDKSA-N 1 2 350.423 -1.424 20 0 FAADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cn(C)nn2)C1 ZINC001199506576 792462903 /nfs/dbraw/zinc/46/29/03/792462903.db2.gz SFQBPZUHBUYUKC-ZLKJLUDKSA-N 1 2 350.423 -1.424 20 0 FAADLO Cn1cc(CCC(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]2O)nn1 ZINC001199506690 792462987 /nfs/dbraw/zinc/46/29/87/792462987.db2.gz WGDGTSDUPKCNCE-ZIAGYGMSSA-N 1 2 350.423 -1.469 20 0 FAADLO Cn1cc(CCC(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]2O)nn1 ZINC001199506690 792462976 /nfs/dbraw/zinc/46/29/76/792462976.db2.gz WGDGTSDUPKCNCE-ZIAGYGMSSA-N 1 2 350.423 -1.469 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cn(C)nn2)C1 ZINC001199507008 792462814 /nfs/dbraw/zinc/46/28/14/792462814.db2.gz ZRSHFLHNKQMJHE-FBIMIBRVSA-N 1 2 353.383 -2.508 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cn(C)nn2)C1 ZINC001199507008 792462808 /nfs/dbraw/zinc/46/28/08/792462808.db2.gz ZRSHFLHNKQMJHE-FBIMIBRVSA-N 1 2 353.383 -2.508 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cn(C)nn2)C1 ZINC001199507010 792462709 /nfs/dbraw/zinc/46/27/09/792462709.db2.gz ZRSHFLHNKQMJHE-JMJZKYOTSA-N 1 2 353.383 -2.508 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cn(C)nn2)C1 ZINC001199507010 792462707 /nfs/dbraw/zinc/46/27/07/792462707.db2.gz ZRSHFLHNKQMJHE-JMJZKYOTSA-N 1 2 353.383 -2.508 20 0 FAADLO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cn(C)nn2)C1 ZINC001199514323 792463999 /nfs/dbraw/zinc/46/39/99/792463999.db2.gz ANCUZSPBCBQBSL-ZIAGYGMSSA-N 1 2 352.439 -1.224 20 0 FAADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cn(C)nn2)C1 ZINC001199514323 792463994 /nfs/dbraw/zinc/46/39/94/792463994.db2.gz ANCUZSPBCBQBSL-ZIAGYGMSSA-N 1 2 352.439 -1.224 20 0 FAADLO Cn1cc(CCC(=O)N[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]2O)nn1 ZINC001199514695 792464199 /nfs/dbraw/zinc/46/41/99/792464199.db2.gz JWOPHAOJFAWNSZ-GRYCIOLGSA-N 1 2 350.379 -2.286 20 0 FAADLO Cn1cc(CCC(=O)N[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]2O)nn1 ZINC001199514695 792464195 /nfs/dbraw/zinc/46/41/95/792464195.db2.gz JWOPHAOJFAWNSZ-GRYCIOLGSA-N 1 2 350.379 -2.286 20 0 FAADLO Cn1cc(CCC(=O)N[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]2O)nn1 ZINC001199514698 792464043 /nfs/dbraw/zinc/46/40/43/792464043.db2.gz JWOPHAOJFAWNSZ-IJLUTSLNSA-N 1 2 350.379 -2.286 20 0 FAADLO Cn1cc(CCC(=O)N[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]2O)nn1 ZINC001199514698 792464038 /nfs/dbraw/zinc/46/40/38/792464038.db2.gz JWOPHAOJFAWNSZ-IJLUTSLNSA-N 1 2 350.379 -2.286 20 0 FAADLO Cn1cc(CCC(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]2O)nn1 ZINC001199514772 792464243 /nfs/dbraw/zinc/46/42/43/792464243.db2.gz KWJWWLMMQKXNEY-IACUBPJLSA-N 1 2 371.463 -1.656 20 0 FAADLO Cn1cc(CCC(=O)N[C@@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]2O)nn1 ZINC001199514772 792464235 /nfs/dbraw/zinc/46/42/35/792464235.db2.gz KWJWWLMMQKXNEY-IACUBPJLSA-N 1 2 371.463 -1.656 20 0 FAADLO Cn1cc(CCC(=O)N[C@@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]2O)nn1 ZINC001199514774 792464275 /nfs/dbraw/zinc/46/42/75/792464275.db2.gz KWJWWLMMQKXNEY-MRVWCRGKSA-N 1 2 371.463 -1.656 20 0 FAADLO Cn1cc(CCC(=O)N[C@@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]2O)nn1 ZINC001199514774 792464268 /nfs/dbraw/zinc/46/42/68/792464268.db2.gz KWJWWLMMQKXNEY-MRVWCRGKSA-N 1 2 371.463 -1.656 20 0 FAADLO CCN(CC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cn(C)nn2)C1 ZINC001199514972 792463871 /nfs/dbraw/zinc/46/38/71/792463871.db2.gz MYVCYVVGJXWUOT-ZIAGYGMSSA-N 1 2 352.439 -1.223 20 0 FAADLO CCN(CC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cn(C)nn2)C1 ZINC001199514972 792463866 /nfs/dbraw/zinc/46/38/66/792463866.db2.gz MYVCYVVGJXWUOT-ZIAGYGMSSA-N 1 2 352.439 -1.223 20 0 FAADLO Cn1cc(CCC(=O)N[C@@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]2O)nn1 ZINC001199515057 792463938 /nfs/dbraw/zinc/46/39/38/792463938.db2.gz OJEQFJIMJHKORN-CHWSQXEVSA-N 1 2 352.439 -1.176 20 0 FAADLO Cn1cc(CCC(=O)N[C@@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@H]2O)nn1 ZINC001199515057 792463934 /nfs/dbraw/zinc/46/39/34/792463934.db2.gz OJEQFJIMJHKORN-CHWSQXEVSA-N 1 2 352.439 -1.176 20 0 FAADLO CN(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cn(C)nn2)C1)C1CC1 ZINC001199515484 792464106 /nfs/dbraw/zinc/46/41/06/792464106.db2.gz WYFMJIIBSAQJLR-ZIAGYGMSSA-N 1 2 350.423 -1.470 20 0 FAADLO CN(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cn(C)nn2)C1)C1CC1 ZINC001199515484 792464104 /nfs/dbraw/zinc/46/41/04/792464104.db2.gz WYFMJIIBSAQJLR-ZIAGYGMSSA-N 1 2 350.423 -1.470 20 0 FAADLO CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CCc3cn(C)nn3)C2)C1=O ZINC001199523785 792463674 /nfs/dbraw/zinc/46/36/74/792463674.db2.gz HWUDVPFGTYIJID-HZSPNIEDSA-N 1 2 350.423 -1.470 20 0 FAADLO CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CCc3cn(C)nn3)C2)C1=O ZINC001199523785 792463668 /nfs/dbraw/zinc/46/36/68/792463668.db2.gz HWUDVPFGTYIJID-HZSPNIEDSA-N 1 2 350.423 -1.470 20 0 FAADLO CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CCc3cn(C)nn3)C2)C1=O ZINC001199523786 792463826 /nfs/dbraw/zinc/46/38/26/792463826.db2.gz HWUDVPFGTYIJID-MGPQQGTHSA-N 1 2 350.423 -1.470 20 0 FAADLO CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CCc3cn(C)nn3)C2)C1=O ZINC001199523786 792463823 /nfs/dbraw/zinc/46/38/23/792463823.db2.gz HWUDVPFGTYIJID-MGPQQGTHSA-N 1 2 350.423 -1.470 20 0 FAADLO CC(C)C[C@@H](C(N)=O)C(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001199523944 792463769 /nfs/dbraw/zinc/46/37/69/792463769.db2.gz PGXLFNWPSTZLHH-BFHYXJOUSA-N 1 2 354.451 -1.179 20 0 FAADLO CC(C)C[C@@H](C(N)=O)C(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001199523944 792463759 /nfs/dbraw/zinc/46/37/59/792463759.db2.gz PGXLFNWPSTZLHH-BFHYXJOUSA-N 1 2 354.451 -1.179 20 0 FAADLO CC(C)C[C@H](C(N)=O)C(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001199523945 792463689 /nfs/dbraw/zinc/46/36/89/792463689.db2.gz PGXLFNWPSTZLHH-MGPQQGTHSA-N 1 2 354.451 -1.179 20 0 FAADLO CC(C)C[C@H](C(N)=O)C(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001199523945 792463684 /nfs/dbraw/zinc/46/36/84/792463684.db2.gz PGXLFNWPSTZLHH-MGPQQGTHSA-N 1 2 354.451 -1.179 20 0 FAADLO Cn1cc(CCC(=O)N[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]2O)nn1 ZINC001199524093 792463805 /nfs/dbraw/zinc/46/38/05/792463805.db2.gz VOKGQOXMKQYMAM-VXGBXAGGSA-N 1 2 360.440 -2.542 20 0 FAADLO Cn1cc(CCC(=O)N[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]2O)nn1 ZINC001199524093 792463799 /nfs/dbraw/zinc/46/37/99/792463799.db2.gz VOKGQOXMKQYMAM-VXGBXAGGSA-N 1 2 360.440 -2.542 20 0 FAADLO CC(C)C[C@@H](C(N)=O)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1O ZINC001199524133 792464132 /nfs/dbraw/zinc/46/41/32/792464132.db2.gz WKTRDOXBMQKIBO-BFHYXJOUSA-N 1 2 354.451 -1.084 20 0 FAADLO 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C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1NC(=O)CCCS(N)(=O)=O ZINC001208455356 792967955 /nfs/dbraw/zinc/96/79/55/792967955.db2.gz MMHATKQEUITBBV-NXEZZACHSA-N 1 2 360.440 -1.886 20 0 FAADLO C[C@@H]1C[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C[C@H]1NC(=O)C(N)=O ZINC001208455382 792967693 /nfs/dbraw/zinc/96/76/93/792967693.db2.gz NQFVMEUHNUNZKW-RNFRBKRXSA-N 1 2 353.301 -1.704 20 0 FAADLO C[C@@H]1C[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C[C@H]1NC(=O)C(N)=O ZINC001208455382 792967685 /nfs/dbraw/zinc/96/76/85/792967685.db2.gz NQFVMEUHNUNZKW-RNFRBKRXSA-N 1 2 353.301 -1.704 20 0 FAADLO C[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001208461199 792967760 /nfs/dbraw/zinc/96/77/60/792967760.db2.gz FRVAOVVCAGWMIT-FRRDWIJNSA-N 1 2 352.435 -1.016 20 0 FAADLO C[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001208461199 792967757 /nfs/dbraw/zinc/96/77/57/792967757.db2.gz FRVAOVVCAGWMIT-FRRDWIJNSA-N 1 2 352.435 -1.016 20 0 FAADLO C[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001208461200 792968345 /nfs/dbraw/zinc/96/83/45/792968345.db2.gz FRVAOVVCAGWMIT-JHJVBQTASA-N 1 2 352.435 -1.016 20 0 FAADLO C[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001208461200 792968340 /nfs/dbraw/zinc/96/83/40/792968340.db2.gz FRVAOVVCAGWMIT-JHJVBQTASA-N 1 2 352.435 -1.016 20 0 FAADLO C[C@@H]1C[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001208461635 792970347 /nfs/dbraw/zinc/97/03/47/792970347.db2.gz WCHVDJQWZOXDFN-GHMZBOCLSA-N 1 2 351.407 -2.353 20 0 FAADLO C[C@@H]1C[N@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001208461635 792970338 /nfs/dbraw/zinc/97/03/38/792970338.db2.gz WCHVDJQWZOXDFN-GHMZBOCLSA-N 1 2 351.407 -2.353 20 0 FAADLO CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001208533545 792969622 /nfs/dbraw/zinc/96/96/22/792969622.db2.gz PYFHUSXRUODXSC-UVWXRNBGSA-N 1 2 353.423 -1.063 20 0 FAADLO CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001208533545 792969617 /nfs/dbraw/zinc/96/96/17/792969617.db2.gz PYFHUSXRUODXSC-UVWXRNBGSA-N 1 2 353.423 -1.063 20 0 FAADLO COC[C@@H](OC)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1C ZINC001208541882 792969245 /nfs/dbraw/zinc/96/92/45/792969245.db2.gz SYDMENIQDAYOOZ-JHJVBQTASA-N 1 2 356.423 -1.957 20 0 FAADLO COC[C@@H](OC)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1C ZINC001208541882 792969239 /nfs/dbraw/zinc/96/92/39/792969239.db2.gz SYDMENIQDAYOOZ-JHJVBQTASA-N 1 2 356.423 -1.957 20 0 FAADLO COC[C@H](OC)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1C ZINC001208541888 792969737 /nfs/dbraw/zinc/96/97/37/792969737.db2.gz SYDMENIQDAYOOZ-UPJWGTAASA-N 1 2 356.423 -1.957 20 0 FAADLO COC[C@H](OC)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1C ZINC001208541888 792969733 /nfs/dbraw/zinc/96/97/33/792969733.db2.gz SYDMENIQDAYOOZ-UPJWGTAASA-N 1 2 356.423 -1.957 20 0 FAADLO CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001208550540 792969907 /nfs/dbraw/zinc/96/99/07/792969907.db2.gz MFFPPVSEIZGDFL-PSASIEDQSA-N 1 2 358.424 -1.757 20 0 FAADLO CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001208550540 792969902 /nfs/dbraw/zinc/96/99/02/792969902.db2.gz MFFPPVSEIZGDFL-PSASIEDQSA-N 1 2 358.424 -1.757 20 0 FAADLO CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C(N)=O)co2)C1 ZINC001208564458 792970093 /nfs/dbraw/zinc/97/00/93/792970093.db2.gz DHJVINNKAZULAB-PSASIEDQSA-N 1 2 351.363 -1.116 20 0 FAADLO CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C(N)=O)co2)C1 ZINC001208564458 792970088 /nfs/dbraw/zinc/97/00/88/792970088.db2.gz DHJVINNKAZULAB-PSASIEDQSA-N 1 2 351.363 -1.116 20 0 FAADLO C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)c1cc(C(N)=O)co1 ZINC001208564933 792970256 /nfs/dbraw/zinc/97/02/56/792970256.db2.gz LVWQATSLZWMSMR-MWLCHTKSSA-N 1 2 358.420 -1.022 20 0 FAADLO C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)c1cc(C(N)=O)co1 ZINC001208564933 792970249 /nfs/dbraw/zinc/97/02/49/792970249.db2.gz LVWQATSLZWMSMR-MWLCHTKSSA-N 1 2 358.420 -1.022 20 0 FAADLO C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001208579885 792970674 /nfs/dbraw/zinc/97/06/74/792970674.db2.gz JEOSJKQSKBZSQR-FVCCEPFGSA-N 1 2 361.464 -1.110 20 0 FAADLO C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001208579885 792970668 /nfs/dbraw/zinc/97/06/68/792970668.db2.gz JEOSJKQSKBZSQR-FVCCEPFGSA-N 1 2 361.464 -1.110 20 0 FAADLO CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001208580653 792971340 /nfs/dbraw/zinc/97/13/40/792971340.db2.gz XCFUQODKOFXNAD-CHWFTXMASA-N 1 2 355.395 -2.089 20 0 FAADLO CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001208580653 792971331 /nfs/dbraw/zinc/97/13/31/792971331.db2.gz XCFUQODKOFXNAD-CHWFTXMASA-N 1 2 355.395 -2.089 20 0 FAADLO CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001208637675 792971283 /nfs/dbraw/zinc/97/12/83/792971283.db2.gz PEVWQEZKHAIUAW-LDYMZIIASA-N 1 2 350.379 -1.381 20 0 FAADLO CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001208637675 792971278 /nfs/dbraw/zinc/97/12/78/792971278.db2.gz PEVWQEZKHAIUAW-LDYMZIIASA-N 1 2 350.379 -1.381 20 0 FAADLO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001208897077 792972448 /nfs/dbraw/zinc/97/24/48/792972448.db2.gz JHBGLNNNMDFRHU-KXUCPTDWSA-N 1 2 360.440 -2.017 20 0 FAADLO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001208897077 792972439 /nfs/dbraw/zinc/97/24/39/792972439.db2.gz JHBGLNNNMDFRHU-KXUCPTDWSA-N 1 2 360.440 -2.017 20 0 FAADLO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001208897081 792972306 /nfs/dbraw/zinc/97/23/06/792972306.db2.gz JHBGLNNNMDFRHU-OPRDCNLKSA-N 1 2 360.440 -2.017 20 0 FAADLO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001208897081 792972295 /nfs/dbraw/zinc/97/22/95/792972295.db2.gz JHBGLNNNMDFRHU-OPRDCNLKSA-N 1 2 360.440 -2.017 20 0 FAADLO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001208912548 792972788 /nfs/dbraw/zinc/97/27/88/792972788.db2.gz DKVVRHJSVZZWHB-GMTAPVOTSA-N 1 2 355.482 -1.595 20 0 FAADLO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001208912548 792972783 /nfs/dbraw/zinc/97/27/83/792972783.db2.gz DKVVRHJSVZZWHB-GMTAPVOTSA-N 1 2 355.482 -1.595 20 0 FAADLO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001208912552 792972411 /nfs/dbraw/zinc/97/24/11/792972411.db2.gz DKVVRHJSVZZWHB-OUAUKWLOSA-N 1 2 355.482 -1.595 20 0 FAADLO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001208912552 792972401 /nfs/dbraw/zinc/97/24/01/792972401.db2.gz DKVVRHJSVZZWHB-OUAUKWLOSA-N 1 2 355.482 -1.595 20 0 FAADLO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001208924772 792974634 /nfs/dbraw/zinc/97/46/34/792974634.db2.gz PEIQGDJWCSIBSD-GRYCIOLGSA-N 1 2 369.509 -1.205 20 0 FAADLO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001208924772 792974629 /nfs/dbraw/zinc/97/46/29/792974629.db2.gz PEIQGDJWCSIBSD-GRYCIOLGSA-N 1 2 369.509 -1.205 20 0 FAADLO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001208924777 792973879 /nfs/dbraw/zinc/97/38/79/792973879.db2.gz PEIQGDJWCSIBSD-IJLUTSLNSA-N 1 2 369.509 -1.205 20 0 FAADLO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001208924777 792973867 /nfs/dbraw/zinc/97/38/67/792973867.db2.gz PEIQGDJWCSIBSD-IJLUTSLNSA-N 1 2 369.509 -1.205 20 0 FAADLO C[C@@H]1C[N@@H+](Cc2cnns2)C[C@H]1NC(=O)CNS(=O)(=O)N(C)C ZINC001208970876 792974431 /nfs/dbraw/zinc/97/44/31/792974431.db2.gz IFKMPYOXXNSCSD-MWLCHTKSSA-N 1 2 362.481 -1.129 20 0 FAADLO C[C@@H]1C[N@H+](Cc2cnns2)C[C@H]1NC(=O)CNS(=O)(=O)N(C)C ZINC001208970876 792974422 /nfs/dbraw/zinc/97/44/22/792974422.db2.gz IFKMPYOXXNSCSD-MWLCHTKSSA-N 1 2 362.481 -1.129 20 0 FAADLO C[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1NC(=O)CNS(=O)(=O)N(C)C ZINC001208984363 792974313 /nfs/dbraw/zinc/97/43/13/792974313.db2.gz AJJWOJHCZPDBJW-DGCLKSJQSA-N 1 2 358.468 -1.247 20 0 FAADLO C[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H]1NC(=O)CNS(=O)(=O)N(C)C ZINC001208984363 792974307 /nfs/dbraw/zinc/97/43/07/792974307.db2.gz AJJWOJHCZPDBJW-DGCLKSJQSA-N 1 2 358.468 -1.247 20 0 FAADLO Cc1nonc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001208985082 792975759 /nfs/dbraw/zinc/97/57/59/792975759.db2.gz NCODBDJCNDWTET-MWLCHTKSSA-N 1 2 360.440 -1.289 20 0 FAADLO Cc1nonc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001208985082 792975756 /nfs/dbraw/zinc/97/57/56/792975756.db2.gz NCODBDJCNDWTET-MWLCHTKSSA-N 1 2 360.440 -1.289 20 0 FAADLO C[C@@H]1C[N@@H+](Cc2ncccn2)C[C@H]1NC(=O)CNS(=O)(=O)N(C)C 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KLUVSWOCZNBVNX-QJPTWQEYSA-N 1 2 363.436 -1.408 20 0 FAADLO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1OC ZINC001211944804 790384762 /nfs/dbraw/zinc/38/47/62/790384762.db2.gz KLUVSWOCZNBVNX-QJPTWQEYSA-N 1 2 363.436 -1.408 20 0 FAADLO COCCCNC(=O)C[N@H+]1C[C@@H](NC(=O)CNC(=O)OC)[C@H](OC)C1 ZINC001211944984 790384859 /nfs/dbraw/zinc/38/48/59/790384859.db2.gz OUDVNKDIYBTXRL-VXGBXAGGSA-N 1 2 360.411 -1.690 20 0 FAADLO COCCCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CNC(=O)OC)[C@H](OC)C1 ZINC001211944984 790384852 /nfs/dbraw/zinc/38/48/52/790384852.db2.gz OUDVNKDIYBTXRL-VXGBXAGGSA-N 1 2 360.411 -1.690 20 0 FAADLO COC(=O)NCC(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1OC ZINC001211945181 790383817 /nfs/dbraw/zinc/38/38/17/790383817.db2.gz XFPJEEHPWNSZLN-GHMZBOCLSA-N 1 2 366.440 -1.951 20 0 FAADLO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1OC ZINC001211945181 790383807 /nfs/dbraw/zinc/38/38/07/790383807.db2.gz XFPJEEHPWNSZLN-GHMZBOCLSA-N 1 2 366.440 -1.951 20 0 FAADLO CO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1OC ZINC001211949923 790384319 /nfs/dbraw/zinc/38/43/19/790384319.db2.gz VZMKGHLQAVVJLH-CYZMBNFOSA-N 1 2 354.407 -1.566 20 0 FAADLO CO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1OC ZINC001211949923 790384304 /nfs/dbraw/zinc/38/43/04/790384304.db2.gz VZMKGHLQAVVJLH-CYZMBNFOSA-N 1 2 354.407 -1.566 20 0 FAADLO CO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1OC ZINC001211949924 790384436 /nfs/dbraw/zinc/38/44/36/790384436.db2.gz VZMKGHLQAVVJLH-RAIGVLPGSA-N 1 2 354.407 -1.566 20 0 FAADLO CO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1OC ZINC001211949924 790384428 /nfs/dbraw/zinc/38/44/28/790384428.db2.gz VZMKGHLQAVVJLH-RAIGVLPGSA-N 1 2 354.407 -1.566 20 0 FAADLO CO[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)Cn1cc(C)cn1 ZINC001211955184 790385708 /nfs/dbraw/zinc/38/57/08/790385708.db2.gz XRTQLKTXMHJILN-CHWSQXEVSA-N 1 2 359.452 -1.444 20 0 FAADLO CO[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)Cn1cc(C)cn1 ZINC001211955184 790385698 /nfs/dbraw/zinc/38/56/98/790385698.db2.gz XRTQLKTXMHJILN-CHWSQXEVSA-N 1 2 359.452 -1.444 20 0 FAADLO CO[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)Cn1cc(C)cn1 ZINC001211955203 790385969 /nfs/dbraw/zinc/38/59/69/790385969.db2.gz YEUQZAKASTTXDS-IJLUTSLNSA-N 1 2 352.395 -1.410 20 0 FAADLO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)Cn1cc(C)cn1 ZINC001211955203 790385959 /nfs/dbraw/zinc/38/59/59/790385959.db2.gz YEUQZAKASTTXDS-IJLUTSLNSA-N 1 2 352.395 -1.410 20 0 FAADLO CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)Cn1cc(C)cn1 ZINC001211955204 790385402 /nfs/dbraw/zinc/38/54/02/790385402.db2.gz YEUQZAKASTTXDS-QJPTWQEYSA-N 1 2 352.395 -1.410 20 0 FAADLO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)Cn1cc(C)cn1 ZINC001211955204 790385390 /nfs/dbraw/zinc/38/53/90/790385390.db2.gz YEUQZAKASTTXDS-QJPTWQEYSA-N 1 2 352.395 -1.410 20 0 FAADLO CCCC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1OC ZINC001211961825 790385282 /nfs/dbraw/zinc/38/52/82/790385282.db2.gz FQKOIYMDOWIEOK-GRYCIOLGSA-N 1 2 354.407 -1.477 20 0 FAADLO CCCC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1OC ZINC001211961825 790385269 /nfs/dbraw/zinc/38/52/69/790385269.db2.gz FQKOIYMDOWIEOK-GRYCIOLGSA-N 1 2 354.407 -1.477 20 0 FAADLO CCCC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1OC ZINC001211961826 790385366 /nfs/dbraw/zinc/38/53/66/790385366.db2.gz FQKOIYMDOWIEOK-IJLUTSLNSA-N 1 2 354.407 -1.477 20 0 FAADLO CCCC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1OC ZINC001211961826 790385354 /nfs/dbraw/zinc/38/53/54/790385354.db2.gz FQKOIYMDOWIEOK-IJLUTSLNSA-N 1 2 354.407 -1.477 20 0 FAADLO CCCC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1OC ZINC001211964050 790386042 /nfs/dbraw/zinc/38/60/42/790386042.db2.gz AAWIJFUHIKSGAS-GMTAPVOTSA-N 1 2 357.411 -1.699 20 0 FAADLO CCCC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1OC ZINC001211964050 790386029 /nfs/dbraw/zinc/38/60/29/790386029.db2.gz AAWIJFUHIKSGAS-GMTAPVOTSA-N 1 2 357.411 -1.699 20 0 FAADLO CCCC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1OC ZINC001211964051 790385202 /nfs/dbraw/zinc/38/52/02/790385202.db2.gz AAWIJFUHIKSGAS-HBNTYKKESA-N 1 2 357.411 -1.699 20 0 FAADLO CCCC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1OC ZINC001211964051 790385193 /nfs/dbraw/zinc/38/51/93/790385193.db2.gz AAWIJFUHIKSGAS-HBNTYKKESA-N 1 2 357.411 -1.699 20 0 FAADLO CCCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1OC ZINC001211964445 790385860 /nfs/dbraw/zinc/38/58/60/790385860.db2.gz NFSILJKNOFDCHH-VXGBXAGGSA-N 1 2 364.468 -1.733 20 0 FAADLO CCCC(=O)NCC(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1OC ZINC001211964445 790385850 /nfs/dbraw/zinc/38/58/50/790385850.db2.gz NFSILJKNOFDCHH-VXGBXAGGSA-N 1 2 364.468 -1.733 20 0 FAADLO CO[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)CS(C)(=O)=O ZINC001211970338 790385467 /nfs/dbraw/zinc/38/54/67/790385467.db2.gz USHIBUCHKLOCLK-JHJVBQTASA-N 1 2 361.464 -1.237 20 0 FAADLO CO[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)CS(C)(=O)=O ZINC001211970338 790385450 /nfs/dbraw/zinc/38/54/50/790385450.db2.gz USHIBUCHKLOCLK-JHJVBQTASA-N 1 2 361.464 -1.237 20 0 FAADLO CO[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)CS(C)(=O)=O ZINC001211970339 790386004 /nfs/dbraw/zinc/38/60/04/790386004.db2.gz USHIBUCHKLOCLK-YNEHKIRRSA-N 1 2 361.464 -1.237 20 0 FAADLO CO[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)CS(C)(=O)=O ZINC001211970339 790385992 /nfs/dbraw/zinc/38/59/92/790385992.db2.gz USHIBUCHKLOCLK-YNEHKIRRSA-N 1 2 361.464 -1.237 20 0 FAADLO CO[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)c1ccnn1C ZINC001211982597 790387714 /nfs/dbraw/zinc/38/77/14/790387714.db2.gz ZBXYSYSOXKXEBV-DGCLKSJQSA-N 1 2 359.452 -1.260 20 0 FAADLO CO[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)c1ccnn1C ZINC001211982597 790387700 /nfs/dbraw/zinc/38/77/00/790387700.db2.gz ZBXYSYSOXKXEBV-DGCLKSJQSA-N 1 2 359.452 -1.260 20 0 FAADLO CO[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)Cc1cnn(C)c1 ZINC001211992434 790388078 /nfs/dbraw/zinc/38/80/78/790388078.db2.gz MYTNXXRNULFILT-CHWSQXEVSA-N 1 2 359.452 -1.673 20 0 FAADLO CO[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)Cc1cnn(C)c1 ZINC001211992434 790388068 /nfs/dbraw/zinc/38/80/68/790388068.db2.gz MYTNXXRNULFILT-CHWSQXEVSA-N 1 2 359.452 -1.673 20 0 FAADLO CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)Cc1cnn(C)c1 ZINC001211992884 790387302 /nfs/dbraw/zinc/38/73/02/790387302.db2.gz ZQDBBPRDNDPXHW-MVWJERBFSA-N 1 2 352.395 -1.639 20 0 FAADLO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)Cc1cnn(C)c1 ZINC001211992884 790387293 /nfs/dbraw/zinc/38/72/93/790387293.db2.gz ZQDBBPRDNDPXHW-MVWJERBFSA-N 1 2 352.395 -1.639 20 0 FAADLO CO[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)Cc1cnn(C)c1 ZINC001211992887 790387654 /nfs/dbraw/zinc/38/76/54/790387654.db2.gz ZQDBBPRDNDPXHW-YUSALJHKSA-N 1 2 352.395 -1.639 20 0 FAADLO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)Cc1cnn(C)c1 ZINC001211992887 790387643 /nfs/dbraw/zinc/38/76/43/790387643.db2.gz ZQDBBPRDNDPXHW-YUSALJHKSA-N 1 2 352.395 -1.639 20 0 FAADLO COC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1OC ZINC001212015904 790389201 /nfs/dbraw/zinc/38/92/01/790389201.db2.gz SFXFCJOXPCHTAK-JHJVBQTASA-N 1 2 351.469 -1.024 20 0 FAADLO COC[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1OC ZINC001212015904 790389192 /nfs/dbraw/zinc/38/91/92/790389192.db2.gz SFXFCJOXPCHTAK-JHJVBQTASA-N 1 2 351.469 -1.024 20 0 FAADLO COC[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1OC ZINC001212015905 790389565 /nfs/dbraw/zinc/38/95/65/790389565.db2.gz SFXFCJOXPCHTAK-YNEHKIRRSA-N 1 2 351.469 -1.024 20 0 FAADLO COC[C@H](C)C(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1OC ZINC001212015905 790389551 /nfs/dbraw/zinc/38/95/51/790389551.db2.gz SFXFCJOXPCHTAK-YNEHKIRRSA-N 1 2 351.469 -1.024 20 0 FAADLO CO[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC001212017693 790388807 /nfs/dbraw/zinc/38/88/07/790388807.db2.gz PLEGVIOBEVBVER-IJLUTSLNSA-N 1 2 362.452 -2.028 20 0 FAADLO CO[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC001212017693 790388784 /nfs/dbraw/zinc/38/87/84/790388784.db2.gz PLEGVIOBEVBVER-IJLUTSLNSA-N 1 2 362.452 -2.028 20 0 FAADLO CO[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC001212018077 790388369 /nfs/dbraw/zinc/38/83/69/790388369.db2.gz YZPQHJRCQSLHAS-MGPQQGTHSA-N 1 2 352.435 -1.051 20 0 FAADLO CO[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC001212018077 790388358 /nfs/dbraw/zinc/38/83/58/790388358.db2.gz YZPQHJRCQSLHAS-MGPQQGTHSA-N 1 2 352.435 -1.051 20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)[C@H](OC)C1 ZINC001212018115 790389041 /nfs/dbraw/zinc/38/90/41/790389041.db2.gz ZZHBDZPATKRKDM-IJLUTSLNSA-N 1 2 362.452 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/nfs/dbraw/zinc/05/46/69/793054669.db2.gz ZZHBDZPATKRKDM-QJPTWQEYSA-N 1 2 362.452 -1.980 20 0 FAADLO CCS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)[C@H](OC)C1 ZINC001213745253 793054658 /nfs/dbraw/zinc/05/46/58/793054658.db2.gz ZZHBDZPATKRKDM-QJPTWQEYSA-N 1 2 362.452 -1.980 20 0 FAADLO CO[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)[C@@H]1CCC(=O)N1 ZINC001213750063 793054725 /nfs/dbraw/zinc/05/47/25/793054725.db2.gz PLEGVIOBEVBVER-QJPTWQEYSA-N 1 2 362.452 -2.028 20 0 FAADLO CO[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)[C@@H]1CCC(=O)N1 ZINC001213750063 793054716 /nfs/dbraw/zinc/05/47/16/793054716.db2.gz PLEGVIOBEVBVER-QJPTWQEYSA-N 1 2 362.452 -2.028 20 0 FAADLO CO[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)[C@@H]1CCC(=O)N1 ZINC001213750214 793054787 /nfs/dbraw/zinc/05/47/87/793054787.db2.gz YZPQHJRCQSLHAS-BFHYXJOUSA-N 1 2 352.435 -1.051 20 0 FAADLO CO[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)[C@@H]1CCC(=O)N1 ZINC001213750214 793054777 /nfs/dbraw/zinc/05/47/77/793054777.db2.gz YZPQHJRCQSLHAS-BFHYXJOUSA-N 1 2 352.435 -1.051 20 0 FAADLO CCNC(=O)C[N@H+]1C[C@@H](NC(=O)Cn2nc(C)ccc2=O)[C@H](OC)C1 ZINC001213755963 793054834 /nfs/dbraw/zinc/05/48/34/793054834.db2.gz LBJZHCNYSZRLEA-CHWSQXEVSA-N 1 2 351.407 -1.497 20 0 FAADLO CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)Cn2nc(C)ccc2=O)[C@H](OC)C1 ZINC001213755963 793054823 /nfs/dbraw/zinc/05/48/23/793054823.db2.gz LBJZHCNYSZRLEA-CHWSQXEVSA-N 1 2 351.407 -1.497 20 0 FAADLO CNC(=O)C1(C(=O)N[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2OC)CCC1 ZINC001213764982 793054876 /nfs/dbraw/zinc/05/48/76/793054876.db2.gz NGXLQKRIGUUDMY-CHWSQXEVSA-N 1 2 352.435 -1.003 20 0 FAADLO CNC(=O)C1(C(=O)N[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2OC)CCC1 ZINC001213764982 793054868 /nfs/dbraw/zinc/05/48/68/793054868.db2.gz NGXLQKRIGUUDMY-CHWSQXEVSA-N 1 2 352.435 -1.003 20 0 FAADLO CNC(=O)C1(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2OC)CCC1 ZINC001213765143 793056031 /nfs/dbraw/zinc/05/60/31/793056031.db2.gz WDPKOZJQFRJEKT-CHWSQXEVSA-N 1 2 352.435 -1.050 20 0 FAADLO CNC(=O)C1(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2OC)CCC1 ZINC001213765143 793056025 /nfs/dbraw/zinc/05/60/25/793056025.db2.gz WDPKOZJQFRJEKT-CHWSQXEVSA-N 1 2 352.435 -1.050 20 0 FAADLO CNC(=O)C1(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]2OC)CCC1 ZINC001213765164 793055894 /nfs/dbraw/zinc/05/58/94/793055894.db2.gz WYCQLDHYOCWOQA-FRRDWIJNSA-N 1 2 352.435 -1.003 20 0 FAADLO CNC(=O)C1(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]2OC)CCC1 ZINC001213765164 793055888 /nfs/dbraw/zinc/05/58/88/793055888.db2.gz WYCQLDHYOCWOQA-FRRDWIJNSA-N 1 2 352.435 -1.003 20 0 FAADLO CNC(=O)C1(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]2OC)CCC1 ZINC001213765165 793055802 /nfs/dbraw/zinc/05/58/02/793055802.db2.gz WYCQLDHYOCWOQA-JHJVBQTASA-N 1 2 352.435 -1.003 20 0 FAADLO CNC(=O)C1(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]2OC)CCC1 ZINC001213765165 793055793 /nfs/dbraw/zinc/05/57/93/793055793.db2.gz WYCQLDHYOCWOQA-JHJVBQTASA-N 1 2 352.435 -1.003 20 0 FAADLO CNC(=O)C1(C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]2OC)CCC1 ZINC001213765175 793055621 /nfs/dbraw/zinc/05/56/21/793055621.db2.gz XNHKYPXQWLPFIE-FRRDWIJNSA-N 1 2 352.435 -1.051 20 0 FAADLO CNC(=O)C1(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]2OC)CCC1 ZINC001213765175 793055610 /nfs/dbraw/zinc/05/56/10/793055610.db2.gz XNHKYPXQWLPFIE-FRRDWIJNSA-N 1 2 352.435 -1.051 20 0 FAADLO CNC(=O)C1(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]2OC)CCC1 ZINC001213765176 793056099 /nfs/dbraw/zinc/05/60/99/793056099.db2.gz XNHKYPXQWLPFIE-JHJVBQTASA-N 1 2 352.435 -1.051 20 0 FAADLO CNC(=O)C1(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]2OC)CCC1 ZINC001213765176 793056090 /nfs/dbraw/zinc/05/60/90/793056090.db2.gz XNHKYPXQWLPFIE-JHJVBQTASA-N 1 2 352.435 -1.051 20 0 FAADLO CO[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)c1cnn2cc[nH]c12 ZINC001213776727 793056232 /nfs/dbraw/zinc/05/62/32/793056232.db2.gz LSAUUIQTZIAZCF-VXGBXAGGSA-N 1 2 370.435 -1.359 20 0 FAADLO CO[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)c1cnn2cc[nH]c12 ZINC001213776727 793056223 /nfs/dbraw/zinc/05/62/23/793056223.db2.gz LSAUUIQTZIAZCF-VXGBXAGGSA-N 1 2 370.435 -1.359 20 0 FAADLO CNC(=O)NC(=O)CN1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](OC)C1 ZINC001213780865 793056536 /nfs/dbraw/zinc/05/65/36/793056536.db2.gz HAFGMJCFOPLKKW-VXGBXAGGSA-N 1 2 352.395 -1.468 20 0 FAADLO CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1OC ZINC001213783123 793055849 /nfs/dbraw/zinc/05/58/49/793055849.db2.gz GNIHBIJEOFGTQK-JHJVBQTASA-N 1 2 355.439 -1.129 20 0 FAADLO CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1OC ZINC001213783123 793055839 /nfs/dbraw/zinc/05/58/39/793055839.db2.gz GNIHBIJEOFGTQK-JHJVBQTASA-N 1 2 355.439 -1.129 20 0 FAADLO CCCCS(=O)(=O)NCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1OC ZINC001213783138 793056375 /nfs/dbraw/zinc/05/63/75/793056375.db2.gz HDELKHVORGZRRI-IJLUTSLNSA-N 1 2 364.468 -1.605 20 0 FAADLO CCCCS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1OC ZINC001213783138 793056363 /nfs/dbraw/zinc/05/63/63/793056363.db2.gz HDELKHVORGZRRI-IJLUTSLNSA-N 1 2 364.468 -1.605 20 0 FAADLO CCCCS(=O)(=O)NCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1OC ZINC001213783139 793055875 /nfs/dbraw/zinc/05/58/75/793055875.db2.gz HDELKHVORGZRRI-QJPTWQEYSA-N 1 2 364.468 -1.605 20 0 FAADLO CCCCS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1OC ZINC001213783139 793055867 /nfs/dbraw/zinc/05/58/67/793055867.db2.gz HDELKHVORGZRRI-QJPTWQEYSA-N 1 2 364.468 -1.605 20 0 FAADLO CCCCS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC)C[C@H]1OC ZINC001213783263 793056512 /nfs/dbraw/zinc/05/65/12/793056512.db2.gz LOKNAINQZWGGTQ-VXGBXAGGSA-N 1 2 364.468 -1.733 20 0 FAADLO CCCCS(=O)(=O)NCC(=O)N[C@@H]1C[N@H+](CC(=O)NC)C[C@H]1OC ZINC001213783263 793056504 /nfs/dbraw/zinc/05/65/04/793056504.db2.gz LOKNAINQZWGGTQ-VXGBXAGGSA-N 1 2 364.468 -1.733 20 0 FAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@]2(C)CCS(=O)(=O)N2)[C@H](OC)C1 ZINC001213787457 793056065 /nfs/dbraw/zinc/05/60/65/793056065.db2.gz AYZCJPQIFJQLFB-GYSYKLTISA-N 1 2 362.452 -1.980 20 0 FAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@]2(C)CCS(=O)(=O)N2)[C@H](OC)C1 ZINC001213787457 793056055 /nfs/dbraw/zinc/05/60/55/793056055.db2.gz AYZCJPQIFJQLFB-GYSYKLTISA-N 1 2 362.452 -1.980 20 0 FAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@@]2(C)CCS(=O)(=O)N2)[C@H](OC)C1 ZINC001213787458 793056297 /nfs/dbraw/zinc/05/62/97/793056297.db2.gz AYZCJPQIFJQLFB-JTNHKYCSSA-N 1 2 362.452 -1.980 20 0 FAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@@]2(C)CCS(=O)(=O)N2)[C@H](OC)C1 ZINC001213787458 793056281 /nfs/dbraw/zinc/05/62/81/793056281.db2.gz AYZCJPQIFJQLFB-JTNHKYCSSA-N 1 2 362.452 -1.980 20 0 FAADLO CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1OC ZINC001213787671 793057137 /nfs/dbraw/zinc/05/71/37/793057137.db2.gz MXBNYHFIJGENMB-JHJVBQTASA-N 1 2 355.439 -1.083 20 0 FAADLO CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1OC ZINC001213787671 793057127 /nfs/dbraw/zinc/05/71/27/793057127.db2.gz MXBNYHFIJGENMB-JHJVBQTASA-N 1 2 355.439 -1.083 20 0 FAADLO CCc1nc[nH]c1C(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1OC ZINC001213792544 793057349 /nfs/dbraw/zinc/05/73/49/793057349.db2.gz ILZFMMHXDAMAGT-VXGBXAGGSA-N 1 2 359.452 -1.050 20 0 FAADLO CCc1nc[nH]c1C(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1OC ZINC001213792544 793057337 /nfs/dbraw/zinc/05/73/37/793057337.db2.gz ILZFMMHXDAMAGT-VXGBXAGGSA-N 1 2 359.452 -1.050 20 0 FAADLO CO[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)CS(=O)(=O)N(C)C ZINC001213796454 793057059 /nfs/dbraw/zinc/05/70/59/793057059.db2.gz CYNICOPDAKBWHB-CHWSQXEVSA-N 1 2 359.452 -1.373 20 0 FAADLO CO[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)CS(=O)(=O)N(C)C ZINC001213796454 793057049 /nfs/dbraw/zinc/05/70/49/793057049.db2.gz CYNICOPDAKBWHB-CHWSQXEVSA-N 1 2 359.452 -1.373 20 0 FAADLO CCc1nc[nH]c1C(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1OC ZINC001213796555 793058167 /nfs/dbraw/zinc/05/81/67/793058167.db2.gz IKDWVBSKGDGRQP-FBIMIBRVSA-N 1 2 352.395 -1.016 20 0 FAADLO CCc1nc[nH]c1C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1OC ZINC001213796555 793058159 /nfs/dbraw/zinc/05/81/59/793058159.db2.gz IKDWVBSKGDGRQP-FBIMIBRVSA-N 1 2 352.395 -1.016 20 0 FAADLO CCc1nc[nH]c1C(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1OC ZINC001213796556 793058238 /nfs/dbraw/zinc/05/82/38/793058238.db2.gz IKDWVBSKGDGRQP-JMJZKYOTSA-N 1 2 352.395 -1.016 20 0 FAADLO CCc1nc[nH]c1C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1OC ZINC001213796556 793058226 /nfs/dbraw/zinc/05/82/26/793058226.db2.gz IKDWVBSKGDGRQP-JMJZKYOTSA-N 1 2 352.395 -1.016 20 0 FAADLO CO[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1NC(=O)CS(=O)(=O)N(C)C ZINC001213796733 793058542 /nfs/dbraw/zinc/05/85/42/793058542.db2.gz RPXHURVYSMSRFO-CHWSQXEVSA-N 1 2 359.452 -1.373 20 0 FAADLO CO[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)CS(=O)(=O)N(C)C ZINC001213798519 793058689 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CC[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219163175 793213826 /nfs/dbraw/zinc/21/38/26/793213826.db2.gz IXYFASAWCXYHIZ-UPJWGTAASA-N 1 2 355.439 -1.393 20 0 FAADLO CC[C@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219163176 793213954 /nfs/dbraw/zinc/21/39/54/793213954.db2.gz IXYFASAWCXYHIZ-XQQFMLRXSA-N 1 2 355.439 -1.393 20 0 FAADLO CC[C@H]1CCCCN1C(=O)C[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219163176 793213948 /nfs/dbraw/zinc/21/39/48/793213948.db2.gz IXYFASAWCXYHIZ-XQQFMLRXSA-N 1 2 355.439 -1.393 20 0 FAADLO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2OCCO3)C[C@@H]1O ZINC001219163218 793213387 /nfs/dbraw/zinc/21/33/87/793213387.db2.gz KREOYZBSITWVKW-NEPJUHHUSA-N 1 2 350.375 -1.213 20 0 FAADLO NC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2cccc3c2OCCO3)C[C@@H]1O ZINC001219163218 793213381 /nfs/dbraw/zinc/21/33/81/793213381.db2.gz KREOYZBSITWVKW-NEPJUHHUSA-N 1 2 350.375 -1.213 20 0 FAADLO CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)CN2CCCC2=O)[C@@H](O)C1)C1CC1 ZINC001219163332 793213431 /nfs/dbraw/zinc/21/34/31/793213431.db2.gz ORUWWEKCMKCPOM-KGLIPLIRSA-N 1 2 352.435 -1.219 20 0 FAADLO CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)CN2CCCC2=O)[C@@H](O)C1)C1CC1 ZINC001219163332 793213421 /nfs/dbraw/zinc/21/34/21/793213421.db2.gz ORUWWEKCMKCPOM-KGLIPLIRSA-N 1 2 352.435 -1.219 20 0 FAADLO CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CCCC2=O)[C@@H](O)C1 ZINC001219163351 793213884 /nfs/dbraw/zinc/21/38/84/793213884.db2.gz POBVHRZKWLMXNT-MCIONIFRSA-N 1 2 354.451 -1.069 20 0 FAADLO CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CN2CCCC2=O)[C@@H](O)C1 ZINC001219163351 793213879 /nfs/dbraw/zinc/21/38/79/793213879.db2.gz POBVHRZKWLMXNT-MCIONIFRSA-N 1 2 354.451 -1.069 20 0 FAADLO CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CCCC2=O)[C@@H](O)C1 ZINC001219163352 793214107 /nfs/dbraw/zinc/21/41/07/793214107.db2.gz POBVHRZKWLMXNT-MJBXVCDLSA-N 1 2 354.451 -1.069 20 0 FAADLO CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CN2CCCC2=O)[C@@H](O)C1 ZINC001219163352 793214102 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MFDRMKOJZMPVGQ-UPJWGTAASA-N 1 2 358.345 -1.172 20 0 FAADLO NC(=O)NCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2cc(F)ccc2F)C[C@@H]1O ZINC001219165254 793215023 /nfs/dbraw/zinc/21/50/23/793215023.db2.gz MFDRMKOJZMPVGQ-UPJWGTAASA-N 1 2 358.345 -1.172 20 0 FAADLO CCOCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219165276 793214804 /nfs/dbraw/zinc/21/48/04/793214804.db2.gz MVYVHEUEGGTAIY-TUAOUCFPSA-N 1 2 359.427 -2.253 20 0 FAADLO CCOCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219165276 793214800 /nfs/dbraw/zinc/21/48/00/793214800.db2.gz MVYVHEUEGGTAIY-TUAOUCFPSA-N 1 2 359.427 -2.253 20 0 FAADLO CCOCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219165277 793214976 /nfs/dbraw/zinc/21/49/76/793214976.db2.gz MVYVHEUEGGTAIY-UTUOFQBUSA-N 1 2 359.427 -2.253 20 0 FAADLO CCOCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219165277 793214969 /nfs/dbraw/zinc/21/49/69/793214969.db2.gz MVYVHEUEGGTAIY-UTUOFQBUSA-N 1 2 359.427 -2.253 20 0 FAADLO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2F)C[C@@H]1O ZINC001219165290 793215144 /nfs/dbraw/zinc/21/51/44/793215144.db2.gz NERITHRKHRMQSL-AGIUHOORSA-N 1 2 358.345 -1.172 20 0 FAADLO NC(=O)NCC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2F)C[C@@H]1O ZINC001219165290 793215139 /nfs/dbraw/zinc/21/51/39/793215139.db2.gz NERITHRKHRMQSL-AGIUHOORSA-N 1 2 358.345 -1.172 20 0 FAADLO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2F)C[C@@H]1O ZINC001219165291 793215006 /nfs/dbraw/zinc/21/50/06/793215006.db2.gz NERITHRKHRMQSL-UPJWGTAASA-N 1 2 358.345 -1.172 20 0 FAADLO NC(=O)NCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2F)C[C@@H]1O ZINC001219165291 793214998 /nfs/dbraw/zinc/21/49/98/793214998.db2.gz NERITHRKHRMQSL-UPJWGTAASA-N 1 2 358.345 -1.172 20 0 FAADLO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219165305 793215172 /nfs/dbraw/zinc/21/51/72/793215172.db2.gz NSXNHNGJMRFAPP-QNSHHTMESA-N 1 2 356.383 -2.807 20 0 FAADLO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219165305 793215163 /nfs/dbraw/zinc/21/51/63/793215163.db2.gz NSXNHNGJMRFAPP-QNSHHTMESA-N 1 2 356.383 -2.807 20 0 FAADLO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219165306 793214775 /nfs/dbraw/zinc/21/47/75/793214775.db2.gz NSXNHNGJMRFAPP-SFGNSQDASA-N 1 2 356.383 -2.807 20 0 FAADLO C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219165306 793214767 /nfs/dbraw/zinc/21/47/67/793214767.db2.gz NSXNHNGJMRFAPP-SFGNSQDASA-N 1 2 356.383 -2.807 20 0 FAADLO COCCOC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2snnc2C)[C@@H](O)C1 ZINC001219165308 793214675 /nfs/dbraw/zinc/21/46/75/793214675.db2.gz NWDYCUCKVUTQFK-TUAOUCFPSA-N 1 2 360.436 -1.355 20 0 FAADLO COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2snnc2C)[C@@H](O)C1 ZINC001219165308 793214673 /nfs/dbraw/zinc/21/46/73/793214673.db2.gz NWDYCUCKVUTQFK-TUAOUCFPSA-N 1 2 360.436 -1.355 20 0 FAADLO COCCOC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2snnc2C)[C@@H](O)C1 ZINC001219165309 793215059 /nfs/dbraw/zinc/21/50/59/793215059.db2.gz NWDYCUCKVUTQFK-UTUOFQBUSA-N 1 2 360.436 -1.355 20 0 FAADLO COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2snnc2C)[C@@H](O)C1 ZINC001219165309 793215050 /nfs/dbraw/zinc/21/50/50/793215050.db2.gz NWDYCUCKVUTQFK-UTUOFQBUSA-N 1 2 360.436 -1.355 20 0 FAADLO CSCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1O ZINC001219167144 793216280 /nfs/dbraw/zinc/21/62/80/793216280.db2.gz JRPACIAXPMYPMT-NEPJUHHUSA-N 1 2 356.448 -1.502 20 0 FAADLO CSCCC(=O)N[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1O ZINC001219167144 793216277 /nfs/dbraw/zinc/21/62/77/793216277.db2.gz JRPACIAXPMYPMT-NEPJUHHUSA-N 1 2 356.448 -1.502 20 0 FAADLO CCS(=O)(=O)CCCCC[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219168353 793216140 /nfs/dbraw/zinc/21/61/40/793216140.db2.gz AEVOKLURJSTYKC-NEPJUHHUSA-N 1 2 364.468 -1.579 20 0 FAADLO CCS(=O)(=O)CCCCC[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219168353 793216137 /nfs/dbraw/zinc/21/61/37/793216137.db2.gz AEVOKLURJSTYKC-NEPJUHHUSA-N 1 2 364.468 -1.579 20 0 FAADLO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCCCC2)C[C@@H]1O ZINC001219168376 793215744 /nfs/dbraw/zinc/21/57/44/793215744.db2.gz BFOMLKJBRDXAFI-OLZOCXBDSA-N 1 2 355.439 -1.391 20 0 FAADLO NC(=O)NCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCCCC2)C[C@@H]1O ZINC001219168376 793215735 /nfs/dbraw/zinc/21/57/35/793215735.db2.gz BFOMLKJBRDXAFI-OLZOCXBDSA-N 1 2 355.439 -1.391 20 0 FAADLO CC(C)CN(C(=O)C[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1)C(C)C ZINC001219168470 793215823 /nfs/dbraw/zinc/21/58/23/793215823.db2.gz DOLXEGGXURUAJH-OLZOCXBDSA-N 1 2 357.455 -1.291 20 0 FAADLO CC(C)CN(C(=O)C[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1)C(C)C ZINC001219168470 793215819 /nfs/dbraw/zinc/21/58/19/793215819.db2.gz DOLXEGGXURUAJH-OLZOCXBDSA-N 1 2 357.455 -1.291 20 0 FAADLO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@@H]1O ZINC001219169122 793217243 /nfs/dbraw/zinc/21/72/43/793217243.db2.gz WUKGSOPVMPISBL-MNOVXSKESA-N 1 2 350.379 -1.611 20 0 FAADLO NC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@@H]1O ZINC001219169122 793217237 /nfs/dbraw/zinc/21/72/37/793217237.db2.gz WUKGSOPVMPISBL-MNOVXSKESA-N 1 2 350.379 -1.611 20 0 FAADLO Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]2O)n1C ZINC001219177419 793217274 /nfs/dbraw/zinc/21/72/74/793217274.db2.gz PVNUGIIYODUVQZ-OCCSQVGLSA-N 1 2 358.464 -1.000 20 0 FAADLO Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]2O)n1C ZINC001219177419 793217269 /nfs/dbraw/zinc/21/72/69/793217269.db2.gz PVNUGIIYODUVQZ-OCCSQVGLSA-N 1 2 358.464 -1.000 20 0 FAADLO COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001219180593 793218065 /nfs/dbraw/zinc/21/80/65/793218065.db2.gz HJCULGDIUIPYIT-MCIONIFRSA-N 1 2 353.423 -1.414 20 0 FAADLO COCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001219180593 793218058 /nfs/dbraw/zinc/21/80/58/793218058.db2.gz HJCULGDIUIPYIT-MCIONIFRSA-N 1 2 353.423 -1.414 20 0 FAADLO COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001219180594 793217618 /nfs/dbraw/zinc/21/76/18/793217618.db2.gz HJCULGDIUIPYIT-MJBXVCDLSA-N 1 2 353.423 -1.414 20 0 FAADLO COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001219180594 793217611 /nfs/dbraw/zinc/21/76/11/793217611.db2.gz HJCULGDIUIPYIT-MJBXVCDLSA-N 1 2 353.423 -1.414 20 0 FAADLO Cc1c(C(=O)N[C@@H]2C[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]2O)cnn1C ZINC001219180757 793218120 /nfs/dbraw/zinc/21/81/20/793218120.db2.gz NHNUVBKJSSAVJU-OLZOCXBDSA-N 1 2 359.452 -1.605 20 0 FAADLO Cc1c(C(=O)N[C@@H]2C[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]2O)cnn1C ZINC001219180757 793218118 /nfs/dbraw/zinc/21/81/18/793218118.db2.gz NHNUVBKJSSAVJU-OLZOCXBDSA-N 1 2 359.452 -1.605 20 0 FAADLO CC(=O)CCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O ZINC001219182877 793218043 /nfs/dbraw/zinc/21/80/43/793218043.db2.gz VUXDEQLNFPPCDV-ZNMIVQPWSA-N 1 2 355.435 -1.110 20 0 FAADLO CC(=O)CCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O ZINC001219182877 793218034 /nfs/dbraw/zinc/21/80/34/793218034.db2.gz VUXDEQLNFPPCDV-ZNMIVQPWSA-N 1 2 355.435 -1.110 20 0 FAADLO O=C(CCn1cncn1)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001219190843 793218199 /nfs/dbraw/zinc/21/81/99/793218199.db2.gz CDSKLXFMZQLQPF-OLZOCXBDSA-N 1 2 352.395 -2.312 20 0 FAADLO O=C(CCn1cncn1)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001219190843 793218191 /nfs/dbraw/zinc/21/81/91/793218191.db2.gz CDSKLXFMZQLQPF-OLZOCXBDSA-N 1 2 352.395 -2.312 20 0 FAADLO CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001219191025 793217974 /nfs/dbraw/zinc/21/79/74/793217974.db2.gz GYEOYDTWIWEQIR-KGLIPLIRSA-N 1 2 350.423 -1.302 20 0 FAADLO CN(CC1CC1)C(=O)C[N@H+]1C[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001219191025 793217970 /nfs/dbraw/zinc/21/79/70/793217970.db2.gz GYEOYDTWIWEQIR-KGLIPLIRSA-N 1 2 350.423 -1.302 20 0 FAADLO O=C(CCn1cncn1)N[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@@H]1O ZINC001219191603 793217901 /nfs/dbraw/zinc/21/79/01/793217901.db2.gz WVVQFWMIWVXTNE-KGLIPLIRSA-N 1 2 350.423 -1.158 20 0 FAADLO O=C(CCn1cncn1)N[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@@H]1O ZINC001219191603 793217899 /nfs/dbraw/zinc/21/78/99/793217899.db2.gz WVVQFWMIWVXTNE-KGLIPLIRSA-N 1 2 350.423 -1.158 20 0 FAADLO O=C(CCn1cccn1)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001219200855 793217733 /nfs/dbraw/zinc/21/77/33/793217733.db2.gz FJTFLSOMDLXLGJ-KGLIPLIRSA-N 1 2 371.463 -1.530 20 0 FAADLO O=C(CCn1cccn1)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001219200855 793217723 /nfs/dbraw/zinc/21/77/23/793217723.db2.gz FJTFLSOMDLXLGJ-KGLIPLIRSA-N 1 2 371.463 -1.530 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](NC(=O)CCn2cccn2)[C@@H](O)C1)S(C)(=O)=O ZINC001219200883 793218300 /nfs/dbraw/zinc/21/83/00/793218300.db2.gz GTZLEKGOXKSHDR-OLZOCXBDSA-N 1 2 359.452 -1.674 20 0 FAADLO CN(CC[N@H+]1C[C@@H](NC(=O)CCn2cccn2)[C@@H](O)C1)S(C)(=O)=O ZINC001219200883 793218294 /nfs/dbraw/zinc/21/82/94/793218294.db2.gz GTZLEKGOXKSHDR-OLZOCXBDSA-N 1 2 359.452 -1.674 20 0 FAADLO O=C(CCn1cccn1)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001219201239 793219528 /nfs/dbraw/zinc/21/95/28/793219528.db2.gz XJCDDVCVHUDBLK-KGLIPLIRSA-N 1 2 351.407 -1.707 20 0 FAADLO O=C(CCn1cccn1)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001219201239 793219522 /nfs/dbraw/zinc/21/95/22/793219522.db2.gz XJCDDVCVHUDBLK-KGLIPLIRSA-N 1 2 351.407 -1.707 20 0 FAADLO CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001219201247 793219296 /nfs/dbraw/zinc/21/92/96/793219296.db2.gz XRNPFMUOTMNTKF-MCIONIFRSA-N 1 2 352.439 -1.010 20 0 FAADLO CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001219201247 793219286 /nfs/dbraw/zinc/21/92/86/793219286.db2.gz XRNPFMUOTMNTKF-MCIONIFRSA-N 1 2 352.439 -1.010 20 0 FAADLO CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001219201248 793219263 /nfs/dbraw/zinc/21/92/63/793219263.db2.gz XRNPFMUOTMNTKF-MJBXVCDLSA-N 1 2 352.439 -1.010 20 0 FAADLO CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001219201248 793219252 /nfs/dbraw/zinc/21/92/52/793219252.db2.gz XRNPFMUOTMNTKF-MJBXVCDLSA-N 1 2 352.439 -1.010 20 0 FAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001219206593 793219008 /nfs/dbraw/zinc/21/90/08/793219008.db2.gz AHKXVCYQYYKAEC-AXFHLTTASA-N 1 2 353.383 -2.326 20 0 FAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001219206593 793218996 /nfs/dbraw/zinc/21/89/96/793218996.db2.gz AHKXVCYQYYKAEC-AXFHLTTASA-N 1 2 353.383 -2.326 20 0 FAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001219206594 793219674 /nfs/dbraw/zinc/21/96/74/793219674.db2.gz AHKXVCYQYYKAEC-MXWKQRLJSA-N 1 2 353.383 -2.326 20 0 FAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001219206594 793219668 /nfs/dbraw/zinc/21/96/68/793219668.db2.gz AHKXVCYQYYKAEC-MXWKQRLJSA-N 1 2 353.383 -2.326 20 0 FAADLO CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1)C1CC1 ZINC001219206627 793219103 /nfs/dbraw/zinc/21/91/03/793219103.db2.gz BVWWMGPFNALHLM-KGLIPLIRSA-N 1 2 350.423 -1.160 20 0 FAADLO CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1)C1CC1 ZINC001219206627 793219093 /nfs/dbraw/zinc/21/90/93/793219093.db2.gz BVWWMGPFNALHLM-KGLIPLIRSA-N 1 2 350.423 -1.160 20 0 FAADLO O=C(CCn1cncn1)N[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@@H]1O ZINC001219206644 793219654 /nfs/dbraw/zinc/21/96/54/793219654.db2.gz CHXHWKMPMFFZJT-KGLIPLIRSA-N 1 2 371.463 -1.346 20 0 FAADLO O=C(CCn1cncn1)N[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@@H]1O ZINC001219206644 793219642 /nfs/dbraw/zinc/21/96/42/793219642.db2.gz CHXHWKMPMFFZJT-KGLIPLIRSA-N 1 2 371.463 -1.346 20 0 FAADLO O=C(CCn1cncn1)N[C@@H]1C[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001219206768 793219867 /nfs/dbraw/zinc/21/98/67/793219867.db2.gz JHEXRWXKKOZPOF-MCIONIFRSA-N 1 2 371.463 -1.346 20 0 FAADLO O=C(CCn1cncn1)N[C@@H]1C[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001219206768 793219861 /nfs/dbraw/zinc/21/98/61/793219861.db2.gz JHEXRWXKKOZPOF-MCIONIFRSA-N 1 2 371.463 -1.346 20 0 FAADLO O=C(CCn1cncn1)N[C@@H]1C[N@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001219206769 793219499 /nfs/dbraw/zinc/21/94/99/793219499.db2.gz JHEXRWXKKOZPOF-MJBXVCDLSA-N 1 2 371.463 -1.346 20 0 FAADLO O=C(CCn1cncn1)N[C@@H]1C[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001219206769 793219489 /nfs/dbraw/zinc/21/94/89/793219489.db2.gz JHEXRWXKKOZPOF-MJBXVCDLSA-N 1 2 371.463 -1.346 20 0 FAADLO CC(C)N1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)CCn3cncn3)[C@@H](O)C2)C1=O ZINC001219206776 793219430 /nfs/dbraw/zinc/21/94/30/793219430.db2.gz JPLVRWGJNFKLJX-MCIONIFRSA-N 1 2 350.423 -1.161 20 0 FAADLO CC(C)N1CC[C@@H]([N@H+]2C[C@@H](NC(=O)CCn3cncn3)[C@@H](O)C2)C1=O ZINC001219206776 793219421 /nfs/dbraw/zinc/21/94/21/793219421.db2.gz JPLVRWGJNFKLJX-MCIONIFRSA-N 1 2 350.423 -1.161 20 0 FAADLO CC(C)N1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CCn3cncn3)[C@@H](O)C2)C1=O ZINC001219206777 793219326 /nfs/dbraw/zinc/21/93/26/793219326.db2.gz JPLVRWGJNFKLJX-RDBSUJKOSA-N 1 2 350.423 -1.161 20 0 FAADLO CC(C)N1CC[C@H]([N@H+]2C[C@@H](NC(=O)CCn3cncn3)[C@@H](O)C2)C1=O ZINC001219206777 793219320 /nfs/dbraw/zinc/21/93/20/793219320.db2.gz JPLVRWGJNFKLJX-RDBSUJKOSA-N 1 2 350.423 -1.161 20 0 FAADLO C[C@H](C[N@@H+]1C[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1)CS(C)(=O)=O ZINC001219206788 793219752 /nfs/dbraw/zinc/21/97/52/793219752.db2.gz KAZIZCSQLCRAIB-UPJWGTAASA-N 1 2 359.452 -1.490 20 0 FAADLO C[C@H](C[N@H+]1C[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1)CS(C)(=O)=O ZINC001219206788 793219742 /nfs/dbraw/zinc/21/97/42/793219742.db2.gz KAZIZCSQLCRAIB-UPJWGTAASA-N 1 2 359.452 -1.490 20 0 FAADLO C[C@@H](C[N@@H+]1C[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1)CS(C)(=O)=O ZINC001219206789 793218811 /nfs/dbraw/zinc/21/88/11/793218811.db2.gz KAZIZCSQLCRAIB-XQQFMLRXSA-N 1 2 359.452 -1.490 20 0 FAADLO C[C@@H](C[N@H+]1C[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1)CS(C)(=O)=O ZINC001219206789 793218805 /nfs/dbraw/zinc/21/88/05/793218805.db2.gz KAZIZCSQLCRAIB-XQQFMLRXSA-N 1 2 359.452 -1.490 20 0 FAADLO CCS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001219206804 793218828 /nfs/dbraw/zinc/21/88/28/793218828.db2.gz LBRDVUQVTWKINC-NEPJUHHUSA-N 1 2 360.440 -2.231 20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1C[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001219206804 793218821 /nfs/dbraw/zinc/21/88/21/793218821.db2.gz LBRDVUQVTWKINC-NEPJUHHUSA-N 1 2 360.440 -2.231 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1)S(C)(=O)=O ZINC001219206874 793219194 /nfs/dbraw/zinc/21/91/94/793219194.db2.gz ODFRIRDFSAEELG-NEPJUHHUSA-N 1 2 360.440 -2.279 20 0 FAADLO CN(CC[N@H+]1C[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1)S(C)(=O)=O ZINC001219206874 793219188 /nfs/dbraw/zinc/21/91/88/793219188.db2.gz ODFRIRDFSAEELG-NEPJUHHUSA-N 1 2 360.440 -2.279 20 0 FAADLO O=C(CCn1cncn1)N[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001219206984 793219368 /nfs/dbraw/zinc/21/93/68/793219368.db2.gz SIKWQRGFZBMMEX-UPJWGTAASA-N 1 2 357.436 -1.736 20 0 FAADLO O=C(CCn1cncn1)N[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001219206984 793219362 /nfs/dbraw/zinc/21/93/62/793219362.db2.gz SIKWQRGFZBMMEX-UPJWGTAASA-N 1 2 357.436 -1.736 20 0 FAADLO O=C(CCn1cncn1)N[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001219206985 793218928 /nfs/dbraw/zinc/21/89/28/793218928.db2.gz SIKWQRGFZBMMEX-XQQFMLRXSA-N 1 2 357.436 -1.736 20 0 FAADLO O=C(CCn1cncn1)N[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001219206985 793218923 /nfs/dbraw/zinc/21/89/23/793218923.db2.gz SIKWQRGFZBMMEX-XQQFMLRXSA-N 1 2 357.436 -1.736 20 0 FAADLO O=C(CCn1cncn1)N[C@@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@@H]1O ZINC001219207146 793218910 /nfs/dbraw/zinc/21/89/10/793218910.db2.gz ZGFGCTRSTRWLIX-MCIONIFRSA-N 1 2 371.463 -1.346 20 0 FAADLO O=C(CCn1cncn1)N[C@@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@@H]1O ZINC001219207146 793218907 /nfs/dbraw/zinc/21/89/07/793218907.db2.gz ZGFGCTRSTRWLIX-MCIONIFRSA-N 1 2 371.463 -1.346 20 0 FAADLO O=C(CCn1cncn1)N[C@@H]1C[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1O ZINC001219207147 793219703 /nfs/dbraw/zinc/21/97/03/793219703.db2.gz ZGFGCTRSTRWLIX-MJBXVCDLSA-N 1 2 371.463 -1.346 20 0 FAADLO O=C(CCn1cncn1)N[C@@H]1C[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1O ZINC001219207147 793219697 /nfs/dbraw/zinc/21/96/97/793219697.db2.gz ZGFGCTRSTRWLIX-MJBXVCDLSA-N 1 2 371.463 -1.346 20 0 FAADLO CCc1cc(C(=O)N[C@@H]2C[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]2O)[nH]n1 ZINC001219208360 793219624 /nfs/dbraw/zinc/21/96/24/793219624.db2.gz OOIBASUFIINCOE-OLZOCXBDSA-N 1 2 359.452 -1.362 20 0 FAADLO CCc1cc(C(=O)N[C@@H]2C[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]2O)[nH]n1 ZINC001219208360 793219614 /nfs/dbraw/zinc/21/96/14/793219614.db2.gz OOIBASUFIINCOE-OLZOCXBDSA-N 1 2 359.452 -1.362 20 0 FAADLO O=C(CCn1cccn1)N[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001219209134 793218972 /nfs/dbraw/zinc/21/89/72/793218972.db2.gz XLPPZPBZHJNRAE-MCIONIFRSA-N 1 2 356.448 -1.131 20 0 FAADLO O=C(CCn1cccn1)N[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001219209134 793218968 /nfs/dbraw/zinc/21/89/68/793218968.db2.gz XLPPZPBZHJNRAE-MCIONIFRSA-N 1 2 356.448 -1.131 20 0 FAADLO O=C(CCn1cccn1)N[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001219209135 793219727 /nfs/dbraw/zinc/21/97/27/793219727.db2.gz XLPPZPBZHJNRAE-MJBXVCDLSA-N 1 2 356.448 -1.131 20 0 FAADLO O=C(CCn1cccn1)N[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001219209135 793219721 /nfs/dbraw/zinc/21/97/21/793219721.db2.gz XLPPZPBZHJNRAE-MJBXVCDLSA-N 1 2 356.448 -1.131 20 0 FAADLO CCS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(=O)CCn2cccn2)[C@@H](O)C1 ZINC001219210087 793218944 /nfs/dbraw/zinc/21/89/44/793218944.db2.gz DDLHXHZVWNIZIW-OLZOCXBDSA-N 1 2 359.452 -1.626 20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1C[C@@H](NC(=O)CCn2cccn2)[C@@H](O)C1 ZINC001219210087 793218939 /nfs/dbraw/zinc/21/89/39/793218939.db2.gz DDLHXHZVWNIZIW-OLZOCXBDSA-N 1 2 359.452 -1.626 20 0 FAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCn2cccn2)[C@@H](O)C1 ZINC001219210598 793220386 /nfs/dbraw/zinc/22/03/86/793220386.db2.gz QSVNZBRMZNVYPX-TUAOUCFPSA-N 1 2 352.395 -1.721 20 0 FAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCn2cccn2)[C@@H](O)C1 ZINC001219210598 793220380 /nfs/dbraw/zinc/22/03/80/793220380.db2.gz QSVNZBRMZNVYPX-TUAOUCFPSA-N 1 2 352.395 -1.721 20 0 FAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCn2cccn2)[C@@H](O)C1 ZINC001219210599 793220856 /nfs/dbraw/zinc/22/08/56/793220856.db2.gz QSVNZBRMZNVYPX-UTUOFQBUSA-N 1 2 352.395 -1.721 20 0 FAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCn2cccn2)[C@@H](O)C1 ZINC001219210599 793220848 /nfs/dbraw/zinc/22/08/48/793220848.db2.gz QSVNZBRMZNVYPX-UTUOFQBUSA-N 1 2 352.395 -1.721 20 0 FAADLO CC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC(C(N)=O)CC2)C[C@@H]1O ZINC001219213999 793220918 /nfs/dbraw/zinc/22/09/18/793220918.db2.gz FYGBBYQNORQCND-BNOWGMLFSA-N 1 2 354.451 -1.082 20 0 FAADLO CC[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC(C(N)=O)CC2)C[C@@H]1O ZINC001219213999 793220906 /nfs/dbraw/zinc/22/09/06/793220906.db2.gz FYGBBYQNORQCND-BNOWGMLFSA-N 1 2 354.451 -1.082 20 0 FAADLO CC[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC(C(N)=O)CC2)C[C@@H]1O ZINC001219214000 793220980 /nfs/dbraw/zinc/22/09/80/793220980.db2.gz FYGBBYQNORQCND-YUTCNCBUSA-N 1 2 354.451 -1.082 20 0 FAADLO CC[C@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC(C(N)=O)CC2)C[C@@H]1O ZINC001219214000 793220972 /nfs/dbraw/zinc/22/09/72/793220972.db2.gz FYGBBYQNORQCND-YUTCNCBUSA-N 1 2 354.451 -1.082 20 0 FAADLO CC[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCN(C(C)=O)CC2)C[C@@H]1O ZINC001219216665 793220480 /nfs/dbraw/zinc/22/04/80/793220480.db2.gz SQGXUGSKKLAPDR-CFVMTHIKSA-N 1 2 354.451 -1.116 20 0 FAADLO CC[C@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCN(C(C)=O)CC2)C[C@@H]1O ZINC001219216665 793220478 /nfs/dbraw/zinc/22/04/78/793220478.db2.gz SQGXUGSKKLAPDR-CFVMTHIKSA-N 1 2 354.451 -1.116 20 0 FAADLO CC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCN(C(C)=O)CC2)C[C@@H]1O ZINC001219216666 793220656 /nfs/dbraw/zinc/22/06/56/793220656.db2.gz SQGXUGSKKLAPDR-YUELXQCFSA-N 1 2 354.451 -1.116 20 0 FAADLO CC[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCN(C(C)=O)CC2)C[C@@H]1O ZINC001219216666 793220649 /nfs/dbraw/zinc/22/06/49/793220649.db2.gz SQGXUGSKKLAPDR-YUELXQCFSA-N 1 2 354.451 -1.116 20 0 FAADLO C[C@H](C(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O)n1cccn1 ZINC001219216851 793220411 /nfs/dbraw/zinc/22/04/11/793220411.db2.gz ZKIUVBBBXNCGBJ-UPJWGTAASA-N 1 2 359.452 -1.503 20 0 FAADLO C[C@H](C(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O)n1cccn1 ZINC001219216851 793220407 /nfs/dbraw/zinc/22/04/07/793220407.db2.gz ZKIUVBBBXNCGBJ-UPJWGTAASA-N 1 2 359.452 -1.503 20 0 FAADLO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O)n1cccn1 ZINC001219216852 793220546 /nfs/dbraw/zinc/22/05/46/793220546.db2.gz ZKIUVBBBXNCGBJ-XQQFMLRXSA-N 1 2 359.452 -1.503 20 0 FAADLO C[C@@H](C(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O)n1cccn1 ZINC001219216852 793220539 /nfs/dbraw/zinc/22/05/39/793220539.db2.gz ZKIUVBBBXNCGBJ-XQQFMLRXSA-N 1 2 359.452 -1.503 20 0 FAADLO CC(C)SCC(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1O ZINC001219218087 793222030 /nfs/dbraw/zinc/22/20/30/793222030.db2.gz JSWDANDKZSQLJB-OLZOCXBDSA-N 1 2 370.475 -1.113 20 0 FAADLO CC(C)SCC(=O)N[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1O ZINC001219218087 793222023 /nfs/dbraw/zinc/22/20/23/793222023.db2.gz JSWDANDKZSQLJB-OLZOCXBDSA-N 1 2 370.475 -1.113 20 0 FAADLO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC[C@H](C)C2)C[C@@H]1O ZINC001219221756 793222010 /nfs/dbraw/zinc/22/20/10/793222010.db2.gz GKTBEGYFQUZAMU-CFVMTHIKSA-N 1 2 354.451 -1.116 20 0 FAADLO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC[C@H](C)C2)C[C@@H]1O ZINC001219221756 793222007 /nfs/dbraw/zinc/22/20/07/793222007.db2.gz GKTBEGYFQUZAMU-CFVMTHIKSA-N 1 2 354.451 -1.116 20 0 FAADLO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@@H]1O ZINC001219221757 793221717 /nfs/dbraw/zinc/22/17/17/793221717.db2.gz GKTBEGYFQUZAMU-YUELXQCFSA-N 1 2 354.451 -1.116 20 0 FAADLO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@@H]1O ZINC001219221757 793221712 /nfs/dbraw/zinc/22/17/12/793221712.db2.gz GKTBEGYFQUZAMU-YUELXQCFSA-N 1 2 354.451 -1.116 20 0 FAADLO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001219221784 793221842 /nfs/dbraw/zinc/22/18/42/793221842.db2.gz HJNIYQMTBUDREY-CABCVRRESA-N 1 2 354.451 -1.116 20 0 FAADLO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001219221784 793221837 /nfs/dbraw/zinc/22/18/37/793221837.db2.gz HJNIYQMTBUDREY-CABCVRRESA-N 1 2 354.451 -1.116 20 0 FAADLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CN(C)C(C)=O)[C@@H](O)C1 ZINC001219221825 793221882 /nfs/dbraw/zinc/22/18/82/793221882.db2.gz IWLGCWAJWDVPLL-JLLWLGSASA-N 1 2 357.411 -2.140 20 0 FAADLO 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COC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCCCC2)C[C@@H]1O ZINC001219274968 793233046 /nfs/dbraw/zinc/23/30/46/793233046.db2.gz POPYVLDOJKUGNU-UPJWGTAASA-N 1 2 356.423 -1.095 20 0 FAADLO COC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCCCC2)C[C@@H]1O ZINC001219274968 793233042 /nfs/dbraw/zinc/23/30/42/793233042.db2.gz POPYVLDOJKUGNU-UPJWGTAASA-N 1 2 356.423 -1.095 20 0 FAADLO COC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCCCC2)C[C@@H]1O ZINC001219274969 793233159 /nfs/dbraw/zinc/23/31/59/793233159.db2.gz POPYVLDOJKUGNU-XQQFMLRXSA-N 1 2 356.423 -1.095 20 0 FAADLO COC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCCCC2)C[C@@H]1O ZINC001219274969 793233156 /nfs/dbraw/zinc/23/31/56/793233156.db2.gz POPYVLDOJKUGNU-XQQFMLRXSA-N 1 2 356.423 -1.095 20 0 FAADLO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)CS(C)(=O)=O)C[C@@H]1O ZINC001219274984 793232847 /nfs/dbraw/zinc/23/28/47/793232847.db2.gz QFHFXKQGHRLXQG-AXFHLTTASA-N 1 2 351.425 -1.816 20 0 FAADLO COC(=O)NCC(=O)N[C@@H]1C[N@H+](C[C@H](C)CS(C)(=O)=O)C[C@@H]1O ZINC001219274984 793232841 /nfs/dbraw/zinc/23/28/41/793232841.db2.gz QFHFXKQGHRLXQG-AXFHLTTASA-N 1 2 351.425 -1.816 20 0 FAADLO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)CS(C)(=O)=O)C[C@@H]1O ZINC001219274985 793232944 /nfs/dbraw/zinc/23/29/44/793232944.db2.gz QFHFXKQGHRLXQG-MXWKQRLJSA-N 1 2 351.425 -1.816 20 0 FAADLO COC(=O)NCC(=O)N[C@@H]1C[N@H+](C[C@@H](C)CS(C)(=O)=O)C[C@@H]1O ZINC001219274985 793232937 /nfs/dbraw/zinc/23/29/37/793232937.db2.gz QFHFXKQGHRLXQG-MXWKQRLJSA-N 1 2 351.425 -1.816 20 0 FAADLO COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CNC(=O)OC)[C@@H](O)C1 ZINC001219275096 793232768 /nfs/dbraw/zinc/23/27/68/793232768.db2.gz VAZITCVEMWGDLI-TUAOUCFPSA-N 1 2 360.411 -1.955 20 0 FAADLO COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CNC(=O)OC)[C@@H](O)C1 ZINC001219275096 793232759 /nfs/dbraw/zinc/23/27/59/793232759.db2.gz VAZITCVEMWGDLI-TUAOUCFPSA-N 1 2 360.411 -1.955 20 0 FAADLO 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CN(CC[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CCOC2)[C@@H](O)C1)S(C)(=O)=O ZINC001219450561 793260387 /nfs/dbraw/zinc/26/03/87/793260387.db2.gz SAYFJXDWAUCLSH-MJBXVCDLSA-N 1 2 363.480 -1.144 20 0 FAADLO CN(CC[N@H+]1C[C@@H](NC(=O)CC[C@H]2CCOC2)[C@@H](O)C1)S(C)(=O)=O ZINC001219450561 793260376 /nfs/dbraw/zinc/26/03/76/793260376.db2.gz SAYFJXDWAUCLSH-MJBXVCDLSA-N 1 2 363.480 -1.144 20 0 FAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@@H](O)C1 ZINC001219450633 793260250 /nfs/dbraw/zinc/26/02/50/793260250.db2.gz UYPFSWAOJLVKLX-GDPRMGEGSA-N 1 2 351.363 -1.594 20 0 FAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@@H](O)C1 ZINC001219450633 793260245 /nfs/dbraw/zinc/26/02/45/793260245.db2.gz UYPFSWAOJLVKLX-GDPRMGEGSA-N 1 2 351.363 -1.594 20 0 FAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@@H](O)C1 ZINC001219450634 793261009 /nfs/dbraw/zinc/26/10/09/793261009.db2.gz UYPFSWAOJLVKLX-IEBDPFPHSA-N 1 2 351.363 -1.594 20 0 FAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@@H](O)C1 ZINC001219450634 793261001 /nfs/dbraw/zinc/26/10/01/793261001.db2.gz UYPFSWAOJLVKLX-IEBDPFPHSA-N 1 2 351.363 -1.594 20 0 FAADLO CCS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@@H](O)C1 ZINC001219450661 793260206 /nfs/dbraw/zinc/26/02/06/793260206.db2.gz VYAYMKBQIXAURP-NEPJUHHUSA-N 1 2 358.420 -1.499 20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1C[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@@H](O)C1 ZINC001219450661 793260200 /nfs/dbraw/zinc/26/02/00/793260200.db2.gz VYAYMKBQIXAURP-NEPJUHHUSA-N 1 2 358.420 -1.499 20 0 FAADLO O=C(CC[C@@H]1CCOC1)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001219450680 793260598 /nfs/dbraw/zinc/26/05/98/793260598.db2.gz WJPKVCFCRYNAIG-KFWWJZLASA-N 1 2 355.435 -1.177 20 0 FAADLO O=C(CC[C@@H]1CCOC1)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001219450680 793260590 /nfs/dbraw/zinc/26/05/90/793260590.db2.gz WJPKVCFCRYNAIG-KFWWJZLASA-N 1 2 355.435 -1.177 20 0 FAADLO O=C(CC[C@H]1CCOC1)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001219450681 793260980 /nfs/dbraw/zinc/26/09/80/793260980.db2.gz WJPKVCFCRYNAIG-ZNMIVQPWSA-N 1 2 355.435 -1.177 20 0 FAADLO O=C(CC[C@H]1CCOC1)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001219450681 793260971 /nfs/dbraw/zinc/26/09/71/793260971.db2.gz WJPKVCFCRYNAIG-ZNMIVQPWSA-N 1 2 355.435 -1.177 20 0 FAADLO CC(C)NC(=O)NCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)[C@@H](O)C1 ZINC001219451612 793260647 /nfs/dbraw/zinc/26/06/47/793260647.db2.gz HQCJPUJZSPNNMU-UPJWGTAASA-N 1 2 355.439 -1.619 20 0 FAADLO CC(C)NC(=O)NCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)[C@@H](O)C1 ZINC001219451612 793260635 /nfs/dbraw/zinc/26/06/35/793260635.db2.gz HQCJPUJZSPNNMU-UPJWGTAASA-N 1 2 355.439 -1.619 20 0 FAADLO CC(C)NC(=O)NCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCNC(=O)C2)[C@@H](O)C1 ZINC001219451613 793260283 /nfs/dbraw/zinc/26/02/83/793260283.db2.gz HQCJPUJZSPNNMU-XQQFMLRXSA-N 1 2 355.439 -1.619 20 0 FAADLO CC(C)NC(=O)NCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCNC(=O)C2)[C@@H](O)C1 ZINC001219451613 793260277 /nfs/dbraw/zinc/26/02/77/793260277.db2.gz HQCJPUJZSPNNMU-XQQFMLRXSA-N 1 2 355.439 -1.619 20 0 FAADLO CCS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CCOC2)[C@@H](O)C1 ZINC001219451670 793260345 /nfs/dbraw/zinc/26/03/45/793260345.db2.gz JTEASBUWIIQEAT-MCIONIFRSA-N 1 2 363.480 -1.096 20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CCOC2)[C@@H](O)C1 ZINC001219451670 793260337 /nfs/dbraw/zinc/26/03/37/793260337.db2.gz JTEASBUWIIQEAT-MCIONIFRSA-N 1 2 363.480 -1.096 20 0 FAADLO CCS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CCOC2)[C@@H](O)C1 ZINC001219451671 793260158 /nfs/dbraw/zinc/26/01/58/793260158.db2.gz JTEASBUWIIQEAT-MJBXVCDLSA-N 1 2 363.480 -1.096 20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1C[C@@H](NC(=O)CC[C@H]2CCOC2)[C@@H](O)C1 ZINC001219451671 793260151 /nfs/dbraw/zinc/26/01/51/793260151.db2.gz JTEASBUWIIQEAT-MJBXVCDLSA-N 1 2 363.480 -1.096 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCNC(=O)C2)[C@@H](O)C1)S(C)(=O)=O ZINC001219451711 793260467 /nfs/dbraw/zinc/26/04/67/793260467.db2.gz KXMVTNKUUOZQBB-TUAOUCFPSA-N 1 2 362.452 -2.435 20 0 FAADLO CN(CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCNC(=O)C2)[C@@H](O)C1)S(C)(=O)=O ZINC001219451711 793260462 /nfs/dbraw/zinc/26/04/62/793260462.db2.gz KXMVTNKUUOZQBB-TUAOUCFPSA-N 1 2 362.452 -2.435 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)[C@@H](O)C1)S(C)(=O)=O ZINC001219451712 793260912 /nfs/dbraw/zinc/26/09/12/793260912.db2.gz KXMVTNKUUOZQBB-UTUOFQBUSA-N 1 2 362.452 -2.435 20 0 FAADLO CN(CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)[C@@H](O)C1)S(C)(=O)=O ZINC001219451712 793260907 /nfs/dbraw/zinc/26/09/07/793260907.db2.gz KXMVTNKUUOZQBB-UTUOFQBUSA-N 1 2 362.452 -2.435 20 0 FAADLO CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)[C@@H](O)C1)C1CC1 ZINC001219451744 793260531 /nfs/dbraw/zinc/26/05/31/793260531.db2.gz MMHMXAYTMYMQPT-BNOWGMLFSA-N 1 2 352.435 -1.315 20 0 FAADLO CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)[C@@H](O)C1)C1CC1 ZINC001219451744 793260520 /nfs/dbraw/zinc/26/05/20/793260520.db2.gz MMHMXAYTMYMQPT-BNOWGMLFSA-N 1 2 352.435 -1.315 20 0 FAADLO CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCNC(=O)C2)[C@@H](O)C1)C1CC1 ZINC001219451745 793260935 /nfs/dbraw/zinc/26/09/35/793260935.db2.gz MMHMXAYTMYMQPT-YUTCNCBUSA-N 1 2 352.435 -1.315 20 0 FAADLO CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCNC(=O)C2)[C@@H](O)C1)C1CC1 ZINC001219451745 793260927 /nfs/dbraw/zinc/26/09/27/793260927.db2.gz MMHMXAYTMYMQPT-YUTCNCBUSA-N 1 2 352.435 -1.315 20 0 FAADLO CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)[C@@H](O)C1 ZINC001219451949 793261744 /nfs/dbraw/zinc/26/17/44/793261744.db2.gz WDZFECUBNUNMJN-MCIONIFRSA-N 1 2 352.435 -1.458 20 0 FAADLO CN(CC1CC1)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)[C@@H](O)C1 ZINC001219451949 793261739 /nfs/dbraw/zinc/26/17/39/793261739.db2.gz WDZFECUBNUNMJN-MCIONIFRSA-N 1 2 352.435 -1.458 20 0 FAADLO CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCNC(=O)C2)[C@@H](O)C1 ZINC001219451950 793261507 /nfs/dbraw/zinc/26/15/07/793261507.db2.gz WDZFECUBNUNMJN-MJBXVCDLSA-N 1 2 352.435 -1.458 20 0 FAADLO CN(CC1CC1)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCNC(=O)C2)[C@@H](O)C1 ZINC001219451950 793261496 /nfs/dbraw/zinc/26/14/96/793261496.db2.gz WDZFECUBNUNMJN-MJBXVCDLSA-N 1 2 352.435 -1.458 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@@H](O)C1)S(C)(=O)=O ZINC001219457901 793261662 /nfs/dbraw/zinc/26/16/62/793261662.db2.gz JQQVFXPDLQFBMS-NEPJUHHUSA-N 1 2 358.420 -1.547 20 0 FAADLO CN(CC[N@H+]1C[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@@H](O)C1)S(C)(=O)=O ZINC001219457901 793261655 /nfs/dbraw/zinc/26/16/55/793261655.db2.gz JQQVFXPDLQFBMS-NEPJUHHUSA-N 1 2 358.420 -1.547 20 0 FAADLO CCS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2COC(=O)C2)[C@@H](O)C1 ZINC001219457923 793261890 /nfs/dbraw/zinc/26/18/90/793261890.db2.gz KFMPTSGWKQJUGR-TUAOUCFPSA-N 1 2 363.436 -1.960 20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2COC(=O)C2)[C@@H](O)C1 ZINC001219457923 793261887 /nfs/dbraw/zinc/26/18/87/793261887.db2.gz KFMPTSGWKQJUGR-TUAOUCFPSA-N 1 2 363.436 -1.960 20 0 FAADLO CCS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2COC(=O)C2)[C@@H](O)C1 ZINC001219457925 793261950 /nfs/dbraw/zinc/26/19/50/793261950.db2.gz KFMPTSGWKQJUGR-UTUOFQBUSA-N 1 2 363.436 -1.960 20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1C[C@@H](NC(=O)C[C@H]2COC(=O)C2)[C@@H](O)C1 ZINC001219457925 793261946 /nfs/dbraw/zinc/26/19/46/793261946.db2.gz KFMPTSGWKQJUGR-UTUOFQBUSA-N 1 2 363.436 -1.960 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2COC(=O)C2)[C@@H](O)C1)S(C)(=O)=O ZINC001219457994 793261705 /nfs/dbraw/zinc/26/17/05/793261705.db2.gz MAPBTZCVFJFGQN-TUAOUCFPSA-N 1 2 363.436 -2.008 20 0 FAADLO CN(CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2COC(=O)C2)[C@@H](O)C1)S(C)(=O)=O ZINC001219457994 793261698 /nfs/dbraw/zinc/26/16/98/793261698.db2.gz MAPBTZCVFJFGQN-TUAOUCFPSA-N 1 2 363.436 -2.008 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2COC(=O)C2)[C@@H](O)C1)S(C)(=O)=O ZINC001219457997 793261874 /nfs/dbraw/zinc/26/18/74/793261874.db2.gz MAPBTZCVFJFGQN-UTUOFQBUSA-N 1 2 363.436 -2.008 20 0 FAADLO CN(CC[N@H+]1C[C@@H](NC(=O)C[C@H]2COC(=O)C2)[C@@H](O)C1)S(C)(=O)=O ZINC001219457997 793261869 /nfs/dbraw/zinc/26/18/69/793261869.db2.gz MAPBTZCVFJFGQN-UTUOFQBUSA-N 1 2 363.436 -2.008 20 0 FAADLO CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2COC(=O)C2)[C@@H](O)C1 ZINC001219458068 793261821 /nfs/dbraw/zinc/26/18/21/793261821.db2.gz OCIAMMAOSBGNRA-MCIONIFRSA-N 1 2 353.419 -1.031 20 0 FAADLO CN(CC1CC1)C(=O)C[N@H+]1C[C@@H](NC(=O)C[C@H]2COC(=O)C2)[C@@H](O)C1 ZINC001219458068 793261815 /nfs/dbraw/zinc/26/18/15/793261815.db2.gz OCIAMMAOSBGNRA-MCIONIFRSA-N 1 2 353.419 -1.031 20 0 FAADLO CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2COC(=O)C2)[C@@H](O)C1 ZINC001219458069 793261625 /nfs/dbraw/zinc/26/16/25/793261625.db2.gz OCIAMMAOSBGNRA-MJBXVCDLSA-N 1 2 353.419 -1.031 20 0 FAADLO CN(CC1CC1)C(=O)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2COC(=O)C2)[C@@H](O)C1 ZINC001219458069 793261617 /nfs/dbraw/zinc/26/16/17/793261617.db2.gz OCIAMMAOSBGNRA-MJBXVCDLSA-N 1 2 353.419 -1.031 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](NC(=O)Cc2cccnc2)[C@@H](O)C1)S(C)(=O)=O ZINC001219465357 793262614 /nfs/dbraw/zinc/26/26/14/793262614.db2.gz BKDZQXXYDXKBGX-KGLIPLIRSA-N 1 2 356.448 -1.323 20 0 FAADLO CN(CC[N@H+]1C[C@@H](NC(=O)Cc2cccnc2)[C@@H](O)C1)S(C)(=O)=O ZINC001219465357 793262605 /nfs/dbraw/zinc/26/26/05/793262605.db2.gz BKDZQXXYDXKBGX-KGLIPLIRSA-N 1 2 356.448 -1.323 20 0 FAADLO CCS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(=O)Cc2cccnc2)[C@@H](O)C1 ZINC001219466003 793263119 /nfs/dbraw/zinc/26/31/19/793263119.db2.gz VIQNAGRVNBBJAP-KGLIPLIRSA-N 1 2 356.448 -1.275 20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1C[C@@H](NC(=O)Cc2cccnc2)[C@@H](O)C1 ZINC001219466003 793263111 /nfs/dbraw/zinc/26/31/11/793263111.db2.gz VIQNAGRVNBBJAP-KGLIPLIRSA-N 1 2 356.448 -1.275 20 0 FAADLO CC[C@H](SC)C(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1O ZINC001219469035 793262577 /nfs/dbraw/zinc/26/25/77/793262577.db2.gz DCWUMMUHAFSIJL-AGIUHOORSA-N 1 2 370.475 -1.113 20 0 FAADLO CC[C@H](SC)C(=O)N[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1O ZINC001219469035 793262570 /nfs/dbraw/zinc/26/25/70/793262570.db2.gz DCWUMMUHAFSIJL-AGIUHOORSA-N 1 2 370.475 -1.113 20 0 FAADLO CC[C@@H](SC)C(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1O ZINC001219469036 793263271 /nfs/dbraw/zinc/26/32/71/793263271.db2.gz DCWUMMUHAFSIJL-FRRDWIJNSA-N 1 2 370.475 -1.113 20 0 FAADLO CC[C@@H](SC)C(=O)N[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1O ZINC001219469036 793263264 /nfs/dbraw/zinc/26/32/64/793263264.db2.gz DCWUMMUHAFSIJL-FRRDWIJNSA-N 1 2 370.475 -1.113 20 0 FAADLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]2O)ncn1 ZINC001219469283 793263705 /nfs/dbraw/zinc/26/37/05/793263705.db2.gz LHRPPCAGFAHVIK-OLZOCXBDSA-N 1 2 357.436 -1.549 20 0 FAADLO Cc1cc(C(=O)N[C@@H]2C[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]2O)ncn1 ZINC001219469283 793263700 /nfs/dbraw/zinc/26/37/00/793263700.db2.gz LHRPPCAGFAHVIK-OLZOCXBDSA-N 1 2 357.436 -1.549 20 0 FAADLO CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001219472012 793264109 /nfs/dbraw/zinc/26/41/09/793264109.db2.gz BNYMICVKYGCLMQ-KFWWJZLASA-N 1 2 356.467 -1.215 20 0 FAADLO CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001219472012 793264101 /nfs/dbraw/zinc/26/41/01/793264101.db2.gz BNYMICVKYGCLMQ-KFWWJZLASA-N 1 2 356.467 -1.215 20 0 FAADLO CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001219472013 793263855 /nfs/dbraw/zinc/26/38/55/793263855.db2.gz BNYMICVKYGCLMQ-ZNMIVQPWSA-N 1 2 356.467 -1.215 20 0 FAADLO CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001219472013 793263846 /nfs/dbraw/zinc/26/38/46/793263846.db2.gz BNYMICVKYGCLMQ-ZNMIVQPWSA-N 1 2 356.467 -1.215 20 0 FAADLO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O)n1cncn1 ZINC001219472018 793263790 /nfs/dbraw/zinc/26/37/90/793263790.db2.gz BPWMBHTUTMBGAG-TUAOUCFPSA-N 1 2 360.440 -2.108 20 0 FAADLO C[C@@H](C(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O)n1cncn1 ZINC001219472018 793263785 /nfs/dbraw/zinc/26/37/85/793263785.db2.gz BPWMBHTUTMBGAG-TUAOUCFPSA-N 1 2 360.440 -2.108 20 0 FAADLO C[C@H](C(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O)n1cncn1 ZINC001219472019 793263647 /nfs/dbraw/zinc/26/36/47/793263647.db2.gz BPWMBHTUTMBGAG-UTUOFQBUSA-N 1 2 360.440 -2.108 20 0 FAADLO C[C@H](C(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O)n1cncn1 ZINC001219472019 793263644 /nfs/dbraw/zinc/26/36/44/793263644.db2.gz BPWMBHTUTMBGAG-UTUOFQBUSA-N 1 2 360.440 -2.108 20 0 FAADLO CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001219472071 793263722 /nfs/dbraw/zinc/26/37/22/793263722.db2.gz DJSYSBNWVQFJLF-KFWWJZLASA-N 1 2 356.467 -1.263 20 0 FAADLO CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001219472071 793263718 /nfs/dbraw/zinc/26/37/18/793263718.db2.gz DJSYSBNWVQFJLF-KFWWJZLASA-N 1 2 356.467 -1.263 20 0 FAADLO CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001219472072 793263600 /nfs/dbraw/zinc/26/36/00/793263600.db2.gz DJSYSBNWVQFJLF-ZNMIVQPWSA-N 1 2 356.467 -1.263 20 0 FAADLO CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001219472072 793263591 /nfs/dbraw/zinc/26/35/91/793263591.db2.gz DJSYSBNWVQFJLF-ZNMIVQPWSA-N 1 2 356.467 -1.263 20 0 FAADLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001219472115 793263901 /nfs/dbraw/zinc/26/39/01/793263901.db2.gz FKVVSEIQXPYIDC-KFWWJZLASA-N 1 2 356.467 -1.265 20 0 FAADLO CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001219472115 793263892 /nfs/dbraw/zinc/26/38/92/793263892.db2.gz FKVVSEIQXPYIDC-KFWWJZLASA-N 1 2 356.467 -1.265 20 0 FAADLO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001219472116 793263751 /nfs/dbraw/zinc/26/37/51/793263751.db2.gz FKVVSEIQXPYIDC-ZNMIVQPWSA-N 1 2 356.467 -1.265 20 0 FAADLO CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001219472116 793263747 /nfs/dbraw/zinc/26/37/47/793263747.db2.gz FKVVSEIQXPYIDC-ZNMIVQPWSA-N 1 2 356.467 -1.265 20 0 FAADLO CS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001219472235 793265041 /nfs/dbraw/zinc/26/50/41/793265041.db2.gz HZKCTFQHWWCFFD-NEPJUHHUSA-N 1 2 350.441 -2.971 20 0 FAADLO CS(=O)(=O)NCC[N@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001219472235 793265033 /nfs/dbraw/zinc/26/50/33/793265033.db2.gz HZKCTFQHWWCFFD-NEPJUHHUSA-N 1 2 350.441 -2.971 20 0 FAADLO C[C@H](C[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1)CS(C)(=O)=O ZINC001219472329 793264724 /nfs/dbraw/zinc/26/47/24/793264724.db2.gz KGAHFQWPGRZEQS-MCIONIFRSA-N 1 2 363.480 -1.839 20 0 FAADLO C[C@H](C[N@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1)CS(C)(=O)=O ZINC001219472329 793264719 /nfs/dbraw/zinc/26/47/19/793264719.db2.gz KGAHFQWPGRZEQS-MCIONIFRSA-N 1 2 363.480 -1.839 20 0 FAADLO C[C@@H](C[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1)CS(C)(=O)=O ZINC001219472330 793265226 /nfs/dbraw/zinc/26/52/26/793265226.db2.gz KGAHFQWPGRZEQS-MJBXVCDLSA-N 1 2 363.480 -1.839 20 0 FAADLO C[C@@H](C[N@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1)CS(C)(=O)=O ZINC001219472330 793265217 /nfs/dbraw/zinc/26/52/17/793265217.db2.gz KGAHFQWPGRZEQS-MJBXVCDLSA-N 1 2 363.480 -1.839 20 0 FAADLO CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1)C1CC1 ZINC001219472371 793264693 /nfs/dbraw/zinc/26/46/93/793264693.db2.gz KSCRBIIWLWCHPQ-CABCVRRESA-N 1 2 354.451 -1.509 20 0 FAADLO CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1)C1CC1 ZINC001219472371 793264688 /nfs/dbraw/zinc/26/46/88/793264688.db2.gz KSCRBIIWLWCHPQ-CABCVRRESA-N 1 2 354.451 -1.509 20 0 FAADLO CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2COCCN2C)[C@@H](O)C1)C1CC1 ZINC001219472391 793265468 /nfs/dbraw/zinc/26/54/68/793265468.db2.gz LFQVJIAQNKMMGD-ILXRZTDVSA-N 1 2 354.451 -1.511 20 0 FAADLO CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2COCCN2C)[C@@H](O)C1)C1CC1 ZINC001219472391 793265461 /nfs/dbraw/zinc/26/54/61/793265461.db2.gz LFQVJIAQNKMMGD-ILXRZTDVSA-N 1 2 354.451 -1.511 20 0 FAADLO CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2COCCN2C)[C@@H](O)C1)C1CC1 ZINC001219472392 793265307 /nfs/dbraw/zinc/26/53/07/793265307.db2.gz LFQVJIAQNKMMGD-KFWWJZLASA-N 1 2 354.451 -1.511 20 0 FAADLO CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2COCCN2C)[C@@H](O)C1)C1CC1 ZINC001219472392 793265300 /nfs/dbraw/zinc/26/53/00/793265300.db2.gz LFQVJIAQNKMMGD-KFWWJZLASA-N 1 2 354.451 -1.511 20 0 FAADLO CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001219472440 793264875 /nfs/dbraw/zinc/26/48/75/793264875.db2.gz MGCYKJAFUSHZDK-KFWWJZLASA-N 1 2 356.467 -1.359 20 0 FAADLO CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001219472440 793264866 /nfs/dbraw/zinc/26/48/66/793264866.db2.gz MGCYKJAFUSHZDK-KFWWJZLASA-N 1 2 356.467 -1.359 20 0 FAADLO CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001219472441 793265135 /nfs/dbraw/zinc/26/51/35/793265135.db2.gz MGCYKJAFUSHZDK-ZNMIVQPWSA-N 1 2 356.467 -1.359 20 0 FAADLO CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001219472441 793265123 /nfs/dbraw/zinc/26/51/23/793265123.db2.gz MGCYKJAFUSHZDK-ZNMIVQPWSA-N 1 2 356.467 -1.359 20 0 FAADLO CC(C)NC(=O)NCC[N@@H+]1C[C@@H](NC(=O)[C@H]2COCCN2C)[C@@H](O)C1 ZINC001219472650 793264744 /nfs/dbraw/zinc/26/47/44/793264744.db2.gz PHCUUHLVHHSOQG-MCIONIFRSA-N 1 2 357.455 -1.814 20 0 FAADLO CC(C)NC(=O)NCC[N@H+]1C[C@@H](NC(=O)[C@H]2COCCN2C)[C@@H](O)C1 ZINC001219472650 793264740 /nfs/dbraw/zinc/26/47/40/793264740.db2.gz PHCUUHLVHHSOQG-MCIONIFRSA-N 1 2 357.455 -1.814 20 0 FAADLO CC(C)NC(=O)NCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COCCN2C)[C@@H](O)C1 ZINC001219472651 793264670 /nfs/dbraw/zinc/26/46/70/793264670.db2.gz PHCUUHLVHHSOQG-RDBSUJKOSA-N 1 2 357.455 -1.814 20 0 FAADLO CC(C)NC(=O)NCC[N@H+]1C[C@@H](NC(=O)[C@@H]2COCCN2C)[C@@H](O)C1 ZINC001219472651 793264660 /nfs/dbraw/zinc/26/46/60/793264660.db2.gz PHCUUHLVHHSOQG-RDBSUJKOSA-N 1 2 357.455 -1.814 20 0 FAADLO CC(C)NC(=O)NCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)n2cncn2)[C@@H](O)C1 ZINC001219472956 793265063 /nfs/dbraw/zinc/26/50/63/793265063.db2.gz UKPROAFLAYZPSR-UPJWGTAASA-N 1 2 353.427 -1.292 20 0 FAADLO CC(C)NC(=O)NCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)n2cncn2)[C@@H](O)C1 ZINC001219472956 793265055 /nfs/dbraw/zinc/26/50/55/793265055.db2.gz UKPROAFLAYZPSR-UPJWGTAASA-N 1 2 353.427 -1.292 20 0 FAADLO CC(C)NC(=O)NCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)n2cncn2)[C@@H](O)C1 ZINC001219472957 793265091 /nfs/dbraw/zinc/26/50/91/793265091.db2.gz UKPROAFLAYZPSR-XQQFMLRXSA-N 1 2 353.427 -1.292 20 0 FAADLO CC(C)NC(=O)NCC[N@H+]1C[C@@H](NC(=O)[C@H](C)n2cncn2)[C@@H](O)C1 ZINC001219472957 793265084 /nfs/dbraw/zinc/26/50/84/793265084.db2.gz UKPROAFLAYZPSR-XQQFMLRXSA-N 1 2 353.427 -1.292 20 0 FAADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001219472974 793264983 /nfs/dbraw/zinc/26/49/83/793264983.db2.gz UUNZHLXPLXULSP-MCIONIFRSA-N 1 2 356.467 -1.217 20 0 FAADLO C[C@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001219472974 793264974 /nfs/dbraw/zinc/26/49/74/793264974.db2.gz UUNZHLXPLXULSP-MCIONIFRSA-N 1 2 356.467 -1.217 20 0 FAADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001219472975 793265109 /nfs/dbraw/zinc/26/51/09/793265109.db2.gz UUNZHLXPLXULSP-MJBXVCDLSA-N 1 2 356.467 -1.217 20 0 FAADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001219472975 793265103 /nfs/dbraw/zinc/26/51/03/793265103.db2.gz UUNZHLXPLXULSP-MJBXVCDLSA-N 1 2 356.467 -1.217 20 0 FAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001219472981 793264788 /nfs/dbraw/zinc/26/47/88/793264788.db2.gz UYAPLOQIHWKQNO-TUAOUCFPSA-N 1 2 357.411 -2.676 20 0 FAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001219472981 793264777 /nfs/dbraw/zinc/26/47/77/793264777.db2.gz UYAPLOQIHWKQNO-TUAOUCFPSA-N 1 2 357.411 -2.676 20 0 FAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001219472983 793264956 /nfs/dbraw/zinc/26/49/56/793264956.db2.gz UYAPLOQIHWKQNO-UTUOFQBUSA-N 1 2 357.411 -2.676 20 0 FAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001219472983 793264948 /nfs/dbraw/zinc/26/49/48/793264948.db2.gz UYAPLOQIHWKQNO-UTUOFQBUSA-N 1 2 357.411 -2.676 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COCCN2C)[C@@H](O)C1)S(C)(=O)=O ZINC001219473144 793264849 /nfs/dbraw/zinc/26/48/49/793264849.db2.gz XIUPYWYSNARKSP-AGIUHOORSA-N 1 2 364.468 -2.630 20 0 FAADLO CN(CC[N@H+]1C[C@@H](NC(=O)[C@@H]2COCCN2C)[C@@H](O)C1)S(C)(=O)=O ZINC001219473144 793264844 /nfs/dbraw/zinc/26/48/44/793264844.db2.gz XIUPYWYSNARKSP-AGIUHOORSA-N 1 2 364.468 -2.630 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](NC(=O)[C@H]2COCCN2C)[C@@H](O)C1)S(C)(=O)=O ZINC001219473145 793265206 /nfs/dbraw/zinc/26/52/06/793265206.db2.gz XIUPYWYSNARKSP-UPJWGTAASA-N 1 2 364.468 -2.630 20 0 FAADLO CN(CC[N@H+]1C[C@@H](NC(=O)[C@H]2COCCN2C)[C@@H](O)C1)S(C)(=O)=O ZINC001219473145 793265200 /nfs/dbraw/zinc/26/52/00/793265200.db2.gz XIUPYWYSNARKSP-UPJWGTAASA-N 1 2 364.468 -2.630 20 0 FAADLO CS[C@H](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1O ZINC001219475646 793266143 /nfs/dbraw/zinc/26/61/43/793266143.db2.gz AOCLHGNHVORECY-RTXFEEFZSA-N 1 2 370.475 -1.113 20 0 FAADLO CS[C@H](C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1O ZINC001219475646 793266135 /nfs/dbraw/zinc/26/61/35/793266135.db2.gz AOCLHGNHVORECY-RTXFEEFZSA-N 1 2 370.475 -1.113 20 0 FAADLO CS[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1O ZINC001219475647 793265799 /nfs/dbraw/zinc/26/57/99/793265799.db2.gz AOCLHGNHVORECY-UHTWSYAYSA-N 1 2 370.475 -1.113 20 0 FAADLO CS[C@@H](C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1O ZINC001219475647 793265792 /nfs/dbraw/zinc/26/57/92/793265792.db2.gz AOCLHGNHVORECY-UHTWSYAYSA-N 1 2 370.475 -1.113 20 0 FAADLO CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001219475677 793265957 /nfs/dbraw/zinc/26/59/57/793265957.db2.gz BRFLYABEFAZALN-KGLIPLIRSA-N 1 2 356.467 -1.215 20 0 FAADLO CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001219475677 793265950 /nfs/dbraw/zinc/26/59/50/793265950.db2.gz BRFLYABEFAZALN-KGLIPLIRSA-N 1 2 356.467 -1.215 20 0 FAADLO CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001219476032 793266256 /nfs/dbraw/zinc/26/62/56/793266256.db2.gz MNIQXPNMJRBSHP-CABCVRRESA-N 1 2 354.451 -1.652 20 0 FAADLO CN(CC1CC1)C(=O)C[N@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001219476032 793266246 /nfs/dbraw/zinc/26/62/46/793266246.db2.gz MNIQXPNMJRBSHP-CABCVRRESA-N 1 2 354.451 -1.652 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1)S(C)(=O)=O ZINC001219476422 793266279 /nfs/dbraw/zinc/26/62/79/793266279.db2.gz YWGYNZHOZPJPBP-OLZOCXBDSA-N 1 2 364.468 -2.629 20 0 FAADLO CN(CC[N@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1)S(C)(=O)=O ZINC001219476422 793266270 /nfs/dbraw/zinc/26/62/70/793266270.db2.gz YWGYNZHOZPJPBP-OLZOCXBDSA-N 1 2 364.468 -2.629 20 0 FAADLO CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001219478008 793266531 /nfs/dbraw/zinc/26/65/31/793266531.db2.gz IURGTTFZGFNAQI-NEPJUHHUSA-N 1 2 352.395 -1.987 20 0 FAADLO CN(CC1CC1)C(=O)C[N@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001219478008 793266527 /nfs/dbraw/zinc/26/65/27/793266527.db2.gz IURGTTFZGFNAQI-NEPJUHHUSA-N 1 2 352.395 -1.987 20 0 FAADLO CC[C@@H](C)OCC(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001219478392 793265892 /nfs/dbraw/zinc/26/58/92/793265892.db2.gz VLNZALSOXKYNIB-MCIONIFRSA-N 1 2 363.480 -1.002 20 0 FAADLO CC[C@@H](C)OCC(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001219478392 793265886 /nfs/dbraw/zinc/26/58/86/793265886.db2.gz VLNZALSOXKYNIB-MCIONIFRSA-N 1 2 363.480 -1.002 20 0 FAADLO CC[C@H](C)OCC(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001219478393 793266168 /nfs/dbraw/zinc/26/61/68/793266168.db2.gz VLNZALSOXKYNIB-MJBXVCDLSA-N 1 2 363.480 -1.002 20 0 FAADLO CC[C@H](C)OCC(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001219478393 793266161 /nfs/dbraw/zinc/26/61/61/793266161.db2.gz VLNZALSOXKYNIB-MJBXVCDLSA-N 1 2 363.480 -1.002 20 0 FAADLO CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001219478399 793266057 /nfs/dbraw/zinc/26/60/57/793266057.db2.gz VYJSVKGBMLLPPH-MNOVXSKESA-N 1 2 354.411 -1.550 20 0 FAADLO CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001219478399 793266054 /nfs/dbraw/zinc/26/60/54/793266054.db2.gz VYJSVKGBMLLPPH-MNOVXSKESA-N 1 2 354.411 -1.550 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1)S(C)(=O)=O ZINC001219478422 793265855 /nfs/dbraw/zinc/26/58/55/793265855.db2.gz WUYFFWHBLNKABY-ZJUUUORDSA-N 1 2 362.412 -2.964 20 0 FAADLO CN(CC[N@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1)S(C)(=O)=O ZINC001219478422 793265848 /nfs/dbraw/zinc/26/58/48/793265848.db2.gz WUYFFWHBLNKABY-ZJUUUORDSA-N 1 2 362.412 -2.964 20 0 FAADLO CC[C@@H](C)OCC(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001219478444 793267431 /nfs/dbraw/zinc/26/74/31/793267431.db2.gz XUNFYDLSVKMXOP-UPJWGTAASA-N 1 2 351.469 -1.146 20 0 FAADLO CC[C@@H](C)OCC(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001219478444 793267423 /nfs/dbraw/zinc/26/74/23/793267423.db2.gz XUNFYDLSVKMXOP-UPJWGTAASA-N 1 2 351.469 -1.146 20 0 FAADLO CC[C@H](C)OCC(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001219478445 793266946 /nfs/dbraw/zinc/26/69/46/793266946.db2.gz XUNFYDLSVKMXOP-XQQFMLRXSA-N 1 2 351.469 -1.146 20 0 FAADLO CC[C@H](C)OCC(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001219478445 793266934 /nfs/dbraw/zinc/26/69/34/793266934.db2.gz XUNFYDLSVKMXOP-XQQFMLRXSA-N 1 2 351.469 -1.146 20 0 FAADLO CCS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(=O)C[C@](C)(O)C2CC2)[C@@H](O)C1 ZINC001219479968 793267219 /nfs/dbraw/zinc/26/72/19/793267219.db2.gz ILRMGMTXMWNXEV-IPYPFGDCSA-N 1 2 363.480 -1.362 20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1C[C@@H](NC(=O)C[C@](C)(O)C2CC2)[C@@H](O)C1 ZINC001219479968 793267209 /nfs/dbraw/zinc/26/72/09/793267209.db2.gz ILRMGMTXMWNXEV-IPYPFGDCSA-N 1 2 363.480 -1.362 20 0 FAADLO CCS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(=O)C[C@@](C)(O)C2CC2)[C@@H](O)C1 ZINC001219479969 793267642 /nfs/dbraw/zinc/26/76/42/793267642.db2.gz ILRMGMTXMWNXEV-VNHYZAJKSA-N 1 2 363.480 -1.362 20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1C[C@@H](NC(=O)C[C@@](C)(O)C2CC2)[C@@H](O)C1 ZINC001219479969 793267635 /nfs/dbraw/zinc/26/76/35/793267635.db2.gz ILRMGMTXMWNXEV-VNHYZAJKSA-N 1 2 363.480 -1.362 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](NC(=O)C[C@](C)(O)C2CC2)[C@@H](O)C1)S(C)(=O)=O ZINC001219480174 793267784 /nfs/dbraw/zinc/26/77/84/793267784.db2.gz NQGMFMIXPFLFBN-IPYPFGDCSA-N 1 2 363.480 -1.410 20 0 FAADLO CN(CC[N@H+]1C[C@@H](NC(=O)C[C@](C)(O)C2CC2)[C@@H](O)C1)S(C)(=O)=O ZINC001219480174 793267778 /nfs/dbraw/zinc/26/77/78/793267778.db2.gz NQGMFMIXPFLFBN-IPYPFGDCSA-N 1 2 363.480 -1.410 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](NC(=O)C[C@@](C)(O)C2CC2)[C@@H](O)C1)S(C)(=O)=O ZINC001219480175 793267619 /nfs/dbraw/zinc/26/76/19/793267619.db2.gz NQGMFMIXPFLFBN-VNHYZAJKSA-N 1 2 363.480 -1.410 20 0 FAADLO CN(CC[N@H+]1C[C@@H](NC(=O)C[C@@](C)(O)C2CC2)[C@@H](O)C1)S(C)(=O)=O ZINC001219480175 793267613 /nfs/dbraw/zinc/26/76/13/793267613.db2.gz NQGMFMIXPFLFBN-VNHYZAJKSA-N 1 2 363.480 -1.410 20 0 FAADLO C[C@@](O)(CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1O)C1CC1 ZINC001219480436 793266882 /nfs/dbraw/zinc/26/68/82/793266882.db2.gz TYGBNDORIKSBLD-JKIFEVAISA-N 1 2 355.435 -1.442 20 0 FAADLO C[C@@](O)(CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@@H]1O)C1CC1 ZINC001219480436 793266879 /nfs/dbraw/zinc/26/68/79/793266879.db2.gz TYGBNDORIKSBLD-JKIFEVAISA-N 1 2 355.435 -1.442 20 0 FAADLO C[C@](O)(CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1O)C1CC1 ZINC001219480437 793267121 /nfs/dbraw/zinc/26/71/21/793267121.db2.gz TYGBNDORIKSBLD-KEYYUXOJSA-N 1 2 355.435 -1.442 20 0 FAADLO C[C@](O)(CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@@H]1O)C1CC1 ZINC001219480437 793267115 /nfs/dbraw/zinc/26/71/15/793267115.db2.gz TYGBNDORIKSBLD-KEYYUXOJSA-N 1 2 355.435 -1.442 20 0 FAADLO CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001219485281 793267149 /nfs/dbraw/zinc/26/71/49/793267149.db2.gz FIJVNSDVNKNFFI-TUAOUCFPSA-N 1 2 354.411 -1.598 20 0 FAADLO CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001219485281 793267139 /nfs/dbraw/zinc/26/71/39/793267139.db2.gz FIJVNSDVNKNFFI-TUAOUCFPSA-N 1 2 354.411 -1.598 20 0 FAADLO CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001219485282 793267741 /nfs/dbraw/zinc/26/77/41/793267741.db2.gz FIJVNSDVNKNFFI-UTUOFQBUSA-N 1 2 354.411 -1.598 20 0 FAADLO CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001219485282 793267735 /nfs/dbraw/zinc/26/77/35/793267735.db2.gz FIJVNSDVNKNFFI-UTUOFQBUSA-N 1 2 354.411 -1.598 20 0 FAADLO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001219485347 793267371 /nfs/dbraw/zinc/26/73/71/793267371.db2.gz HFBQCJIDVQQDOM-TUAOUCFPSA-N 1 2 354.411 -1.600 20 0 FAADLO CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001219485347 793267364 /nfs/dbraw/zinc/26/73/64/793267364.db2.gz HFBQCJIDVQQDOM-TUAOUCFPSA-N 1 2 354.411 -1.600 20 0 FAADLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001219485348 793267801 /nfs/dbraw/zinc/26/78/01/793267801.db2.gz HFBQCJIDVQQDOM-UTUOFQBUSA-N 1 2 354.411 -1.600 20 0 FAADLO CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001219485348 793267797 /nfs/dbraw/zinc/26/77/97/793267797.db2.gz HFBQCJIDVQQDOM-UTUOFQBUSA-N 1 2 354.411 -1.600 20 0 FAADLO CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1)C1CC1 ZINC001219485399 793267546 /nfs/dbraw/zinc/26/75/46/793267546.db2.gz IQZJNTKSXMAEFQ-NEPJUHHUSA-N 1 2 352.395 -1.844 20 0 FAADLO CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1)C1CC1 ZINC001219485399 793267541 /nfs/dbraw/zinc/26/75/41/793267541.db2.gz IQZJNTKSXMAEFQ-NEPJUHHUSA-N 1 2 352.395 -1.844 20 0 FAADLO CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001219485411 793267475 /nfs/dbraw/zinc/26/74/75/793267475.db2.gz JDNSKERGKWNZGJ-TUAOUCFPSA-N 1 2 354.411 -1.550 20 0 FAADLO CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001219485411 793267470 /nfs/dbraw/zinc/26/74/70/793267470.db2.gz JDNSKERGKWNZGJ-TUAOUCFPSA-N 1 2 354.411 -1.550 20 0 FAADLO CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001219485412 793267098 /nfs/dbraw/zinc/26/70/98/793267098.db2.gz JDNSKERGKWNZGJ-UTUOFQBUSA-N 1 2 354.411 -1.550 20 0 FAADLO CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001219485412 793267095 /nfs/dbraw/zinc/26/70/95/793267095.db2.gz JDNSKERGKWNZGJ-UTUOFQBUSA-N 1 2 354.411 -1.550 20 0 FAADLO CCS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001219485589 793267447 /nfs/dbraw/zinc/26/74/47/793267447.db2.gz MUNODJXKHBNXAS-ZJUUUORDSA-N 1 2 362.412 -2.916 20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001219485589 793267442 /nfs/dbraw/zinc/26/74/42/793267442.db2.gz MUNODJXKHBNXAS-ZJUUUORDSA-N 1 2 362.412 -2.916 20 0 FAADLO CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001219485603 793266972 /nfs/dbraw/zinc/26/69/72/793266972.db2.gz NGONSEXRYOVGBN-TUAOUCFPSA-N 1 2 354.411 -1.694 20 0 FAADLO CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001219485603 793266962 /nfs/dbraw/zinc/26/69/62/793266962.db2.gz NGONSEXRYOVGBN-TUAOUCFPSA-N 1 2 354.411 -1.694 20 0 FAADLO CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001219485604 793268516 /nfs/dbraw/zinc/26/85/16/793268516.db2.gz NGONSEXRYOVGBN-UTUOFQBUSA-N 1 2 354.411 -1.694 20 0 FAADLO CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001219485604 793268514 /nfs/dbraw/zinc/26/85/14/793268514.db2.gz NGONSEXRYOVGBN-UTUOFQBUSA-N 1 2 354.411 -1.694 20 0 FAADLO O=C(CN1CN=NC1=O)N[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@@H]1O ZINC001219485626 793268868 /nfs/dbraw/zinc/26/88/68/793268868.db2.gz NXJLPYUJNRDXGY-BDAKNGLRSA-N 1 2 353.301 -1.276 20 0 FAADLO O=C(CN1CN=NC1=O)N[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@@H]1O ZINC001219485626 793268862 /nfs/dbraw/zinc/26/88/62/793268862.db2.gz NXJLPYUJNRDXGY-BDAKNGLRSA-N 1 2 353.301 -1.276 20 0 FAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001219485951 793268364 /nfs/dbraw/zinc/26/83/64/793268364.db2.gz WELBXVDOFBBJSQ-HLTSFMKQSA-N 1 2 355.355 -3.011 20 0 FAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001219485951 793268360 /nfs/dbraw/zinc/26/83/60/793268360.db2.gz WELBXVDOFBBJSQ-HLTSFMKQSA-N 1 2 355.355 -3.011 20 0 FAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001219485952 793268891 /nfs/dbraw/zinc/26/88/91/793268891.db2.gz WELBXVDOFBBJSQ-YIZRAAEISA-N 1 2 355.355 -3.011 20 0 FAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001219485952 793268885 /nfs/dbraw/zinc/26/88/85/793268885.db2.gz WELBXVDOFBBJSQ-YIZRAAEISA-N 1 2 355.355 -3.011 20 0 FAADLO 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ZINC001219524608 793283102 /nfs/dbraw/zinc/28/31/02/793283102.db2.gz AUEQYVXMLRXHHB-KGLIPLIRSA-N 1 2 371.463 -1.346 20 0 FAADLO O=C(CCn1ccnn1)N[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@@H]1O ZINC001219524608 793283097 /nfs/dbraw/zinc/28/30/97/793283097.db2.gz AUEQYVXMLRXHHB-KGLIPLIRSA-N 1 2 371.463 -1.346 20 0 FAADLO O=C(CCn1ccnn1)N[C@@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@@H]1O ZINC001219524683 793283085 /nfs/dbraw/zinc/28/30/85/793283085.db2.gz DEQDHUBGBCKTGI-MCIONIFRSA-N 1 2 371.463 -1.346 20 0 FAADLO O=C(CCn1ccnn1)N[C@@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@@H]1O ZINC001219524683 793283082 /nfs/dbraw/zinc/28/30/82/793283082.db2.gz DEQDHUBGBCKTGI-MCIONIFRSA-N 1 2 371.463 -1.346 20 0 FAADLO O=C(CCn1ccnn1)N[C@@H]1C[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1O ZINC001219524684 793283490 /nfs/dbraw/zinc/28/34/90/793283490.db2.gz DEQDHUBGBCKTGI-MJBXVCDLSA-N 1 2 371.463 -1.346 20 0 FAADLO O=C(CCn1ccnn1)N[C@@H]1C[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1O ZINC001219524684 793283480 /nfs/dbraw/zinc/28/34/80/793283480.db2.gz DEQDHUBGBCKTGI-MJBXVCDLSA-N 1 2 371.463 -1.346 20 0 FAADLO C[C@H](C[N@@H+]1C[C@@H](NC(=O)Cc2ccnn2C)[C@@H](O)C1)CS(C)(=O)=O ZINC001219524691 793283536 /nfs/dbraw/zinc/28/35/36/793283536.db2.gz DKYWCMAVZHWHIV-BNOWGMLFSA-N 1 2 358.464 -1.195 20 0 FAADLO C[C@H](C[N@H+]1C[C@@H](NC(=O)Cc2ccnn2C)[C@@H](O)C1)CS(C)(=O)=O ZINC001219524691 793283526 /nfs/dbraw/zinc/28/35/26/793283526.db2.gz DKYWCMAVZHWHIV-BNOWGMLFSA-N 1 2 358.464 -1.195 20 0 FAADLO C[C@@H](C[N@@H+]1C[C@@H](NC(=O)Cc2ccnn2C)[C@@H](O)C1)CS(C)(=O)=O ZINC001219524692 793283029 /nfs/dbraw/zinc/28/30/29/793283029.db2.gz DKYWCMAVZHWHIV-YUTCNCBUSA-N 1 2 358.464 -1.195 20 0 FAADLO C[C@@H](C[N@H+]1C[C@@H](NC(=O)Cc2ccnn2C)[C@@H](O)C1)CS(C)(=O)=O ZINC001219524692 793283026 /nfs/dbraw/zinc/28/30/26/793283026.db2.gz DKYWCMAVZHWHIV-YUTCNCBUSA-N 1 2 358.464 -1.195 20 0 FAADLO O=C(CCn1ccnn1)N[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001219524695 793283613 /nfs/dbraw/zinc/28/36/13/793283613.db2.gz DMPJXELWDHSUPA-UPJWGTAASA-N 1 2 357.436 -1.736 20 0 FAADLO O=C(CCn1ccnn1)N[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001219524695 793283607 /nfs/dbraw/zinc/28/36/07/793283607.db2.gz DMPJXELWDHSUPA-UPJWGTAASA-N 1 2 357.436 -1.736 20 0 FAADLO O=C(CCn1ccnn1)N[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001219524696 793283835 /nfs/dbraw/zinc/28/38/35/793283835.db2.gz DMPJXELWDHSUPA-XQQFMLRXSA-N 1 2 357.436 -1.736 20 0 FAADLO O=C(CCn1ccnn1)N[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001219524696 793283828 /nfs/dbraw/zinc/28/38/28/793283828.db2.gz DMPJXELWDHSUPA-XQQFMLRXSA-N 1 2 357.436 -1.736 20 0 FAADLO O=C(CCn1ccnn1)N[C@@H]1C[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001219524807 793283378 /nfs/dbraw/zinc/28/33/78/793283378.db2.gz GGQLXIDELKOORK-MCIONIFRSA-N 1 2 371.463 -1.346 20 0 FAADLO O=C(CCn1ccnn1)N[C@@H]1C[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001219524807 793283367 /nfs/dbraw/zinc/28/33/67/793283367.db2.gz GGQLXIDELKOORK-MCIONIFRSA-N 1 2 371.463 -1.346 20 0 FAADLO O=C(CCn1ccnn1)N[C@@H]1C[N@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001219524808 793283718 /nfs/dbraw/zinc/28/37/18/793283718.db2.gz GGQLXIDELKOORK-MJBXVCDLSA-N 1 2 371.463 -1.346 20 0 FAADLO O=C(CCn1ccnn1)N[C@@H]1C[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001219524808 793283710 /nfs/dbraw/zinc/28/37/10/793283710.db2.gz GGQLXIDELKOORK-MJBXVCDLSA-N 1 2 371.463 -1.346 20 0 FAADLO CCS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(=O)Cc2ccnn2C)[C@@H](O)C1 ZINC001219524851 793283347 /nfs/dbraw/zinc/28/33/47/793283347.db2.gz HSJFFHIGXSIHOX-OLZOCXBDSA-N 1 2 359.452 -1.937 20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1C[C@@H](NC(=O)Cc2ccnn2C)[C@@H](O)C1 ZINC001219524851 793283337 /nfs/dbraw/zinc/28/33/37/793283337.db2.gz HSJFFHIGXSIHOX-OLZOCXBDSA-N 1 2 359.452 -1.937 20 0 FAADLO CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 ZINC001219524859 793283069 /nfs/dbraw/zinc/28/30/69/793283069.db2.gz HXPDFWZUXCVAHE-KGLIPLIRSA-N 1 2 350.423 -1.302 20 0 FAADLO CN(CC1CC1)C(=O)C[N@H+]1C[C@@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 ZINC001219524859 793283062 /nfs/dbraw/zinc/28/30/62/793283062.db2.gz HXPDFWZUXCVAHE-KGLIPLIRSA-N 1 2 350.423 -1.302 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](NC(=O)CCn2ccnn2)[C@@H](O)C1)S(C)(=O)=O ZINC001219524888 793283901 /nfs/dbraw/zinc/28/39/01/793283901.db2.gz IMWLSFJJFMZYRX-NEPJUHHUSA-N 1 2 360.440 -2.279 20 0 FAADLO CN(CC[N@H+]1C[C@@H](NC(=O)CCn2ccnn2)[C@@H](O)C1)S(C)(=O)=O ZINC001219524888 793283891 /nfs/dbraw/zinc/28/38/91/793283891.db2.gz IMWLSFJJFMZYRX-NEPJUHHUSA-N 1 2 360.440 -2.279 20 0 FAADLO O=C(CCn1ccnn1)N[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@@H]1O ZINC001219525159 793283682 /nfs/dbraw/zinc/28/36/82/793283682.db2.gz VURORAKHYRMIQX-KGLIPLIRSA-N 1 2 350.423 -1.158 20 0 FAADLO O=C(CCn1ccnn1)N[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@@H]1O ZINC001219525159 793283675 /nfs/dbraw/zinc/28/36/75/793283675.db2.gz VURORAKHYRMIQX-KGLIPLIRSA-N 1 2 350.423 -1.158 20 0 FAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2ccnn2C)[C@@H](O)C1 ZINC001219525196 793283410 /nfs/dbraw/zinc/28/34/10/793283410.db2.gz XPBLYXNFAXUJRH-JLLWLGSASA-N 1 2 352.395 -2.032 20 0 FAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2ccnn2C)[C@@H](O)C1 ZINC001219525196 793283399 /nfs/dbraw/zinc/28/33/99/793283399.db2.gz XPBLYXNFAXUJRH-JLLWLGSASA-N 1 2 352.395 -2.032 20 0 FAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2ccnn2C)[C@@H](O)C1 ZINC001219525197 793284234 /nfs/dbraw/zinc/28/42/34/793284234.db2.gz XPBLYXNFAXUJRH-WCQGTBRESA-N 1 2 352.395 -2.032 20 0 FAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2ccnn2C)[C@@H](O)C1 ZINC001219525197 793284226 /nfs/dbraw/zinc/28/42/26/793284226.db2.gz XPBLYXNFAXUJRH-WCQGTBRESA-N 1 2 352.395 -2.032 20 0 FAADLO O=C(CCn1ccnn1)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001219525246 793284807 /nfs/dbraw/zinc/28/48/07/793284807.db2.gz ZNKKKJDBTGBRTG-OLZOCXBDSA-N 1 2 352.395 -2.312 20 0 FAADLO O=C(CCn1ccnn1)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001219525246 793284797 /nfs/dbraw/zinc/28/47/97/793284797.db2.gz ZNKKKJDBTGBRTG-OLZOCXBDSA-N 1 2 352.395 -2.312 20 0 FAADLO CCS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 ZINC001219527063 793284350 /nfs/dbraw/zinc/28/43/50/793284350.db2.gz IBUUIXVXVVZNPZ-NEPJUHHUSA-N 1 2 360.440 -2.231 20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1C[C@@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 ZINC001219527063 793284339 /nfs/dbraw/zinc/28/43/39/793284339.db2.gz IBUUIXVXVVZNPZ-NEPJUHHUSA-N 1 2 360.440 -2.231 20 0 FAADLO CCn1ccnc1C(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001219530416 793284927 /nfs/dbraw/zinc/28/49/27/793284927.db2.gz CXPPSLXCLIZXGJ-NEPJUHHUSA-N 1 2 359.452 -1.431 20 0 FAADLO CCn1ccnc1C(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001219530416 793284919 /nfs/dbraw/zinc/28/49/19/793284919.db2.gz CXPPSLXCLIZXGJ-NEPJUHHUSA-N 1 2 359.452 -1.431 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](NC(=O)C2CCC(O)CC2)[C@@H](O)C1)S(C)(=O)=O ZINC001219530971 793284568 /nfs/dbraw/zinc/28/45/68/793284568.db2.gz LNOOUHOKWVMGJA-PQAZSJQKSA-N 1 2 363.480 -1.410 20 0 FAADLO CN(CC[N@H+]1C[C@@H](NC(=O)C2CCC(O)CC2)[C@@H](O)C1)S(C)(=O)=O ZINC001219530971 793284557 /nfs/dbraw/zinc/28/45/57/793284557.db2.gz LNOOUHOKWVMGJA-PQAZSJQKSA-N 1 2 363.480 -1.410 20 0 FAADLO C[C@H](C[N@@H+]1C[C@@H](NC(=O)Cc2cncnc2)[C@@H](O)C1)CS(C)(=O)=O ZINC001219530975 793284737 /nfs/dbraw/zinc/28/47/37/793284737.db2.gz MACZXLHVLTTZFA-BNOWGMLFSA-N 1 2 356.448 -1.139 20 0 FAADLO C[C@H](C[N@H+]1C[C@@H](NC(=O)Cc2cncnc2)[C@@H](O)C1)CS(C)(=O)=O ZINC001219530975 793284728 /nfs/dbraw/zinc/28/47/28/793284728.db2.gz MACZXLHVLTTZFA-BNOWGMLFSA-N 1 2 356.448 -1.139 20 0 FAADLO C[C@@H](C[N@@H+]1C[C@@H](NC(=O)Cc2cncnc2)[C@@H](O)C1)CS(C)(=O)=O ZINC001219530976 793284149 /nfs/dbraw/zinc/28/41/49/793284149.db2.gz MACZXLHVLTTZFA-YUTCNCBUSA-N 1 2 356.448 -1.139 20 0 FAADLO C[C@@H](C[N@H+]1C[C@@H](NC(=O)Cc2cncnc2)[C@@H](O)C1)CS(C)(=O)=O ZINC001219530976 793284141 /nfs/dbraw/zinc/28/41/41/793284141.db2.gz MACZXLHVLTTZFA-YUTCNCBUSA-N 1 2 356.448 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ZINC001219556448 793288970 /nfs/dbraw/zinc/28/89/70/793288970.db2.gz RUWAXDLSVGAYPX-SCZZXKLOSA-N 1 2 364.328 -1.341 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[C@@H]2C(F)F)[C@@H](O)C1)S(C)(=O)=O ZINC001219557708 793289013 /nfs/dbraw/zinc/28/90/13/793289013.db2.gz GFNOQIGQWXBPFX-MMWGEVLESA-N 1 2 355.407 -1.060 20 0 FAADLO CN(CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[C@@H]2C(F)F)[C@@H](O)C1)S(C)(=O)=O ZINC001219557708 793289005 /nfs/dbraw/zinc/28/90/05/793289005.db2.gz GFNOQIGQWXBPFX-MMWGEVLESA-N 1 2 355.407 -1.060 20 0 FAADLO Cn1cnc(C(=O)N[C@@H]2C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@@H]2O)n1 ZINC001219557834 793289377 /nfs/dbraw/zinc/28/93/77/793289377.db2.gz HMOCXNKKQAFUSU-MNOVXSKESA-N 1 2 353.427 -1.312 20 0 FAADLO Cn1cnc(C(=O)N[C@@H]2C[N@H+](CCNC(=O)NC(C)(C)C)C[C@@H]2O)n1 ZINC001219557834 793289371 /nfs/dbraw/zinc/28/93/71/793289371.db2.gz HMOCXNKKQAFUSU-MNOVXSKESA-N 1 2 353.427 -1.312 20 0 FAADLO CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](NC(=O)c2ncn(C)n2)[C@@H](O)C1 ZINC001219557874 793289097 /nfs/dbraw/zinc/28/90/97/793289097.db2.gz IVJBTKSDJNMEIE-MNOVXSKESA-N 1 2 360.440 -2.081 20 0 FAADLO CCS(=O)(=O)NCCC[N@H+]1C[C@@H](NC(=O)c2ncn(C)n2)[C@@H](O)C1 ZINC001219557874 793289090 /nfs/dbraw/zinc/28/90/90/793289090.db2.gz IVJBTKSDJNMEIE-MNOVXSKESA-N 1 2 360.440 -2.081 20 0 FAADLO Cn1cnc(C(=O)N[C@@H]2C[N@@H+](CCCNC(=O)C(F)(F)F)C[C@@H]2O)n1 ZINC001219558636 793289300 /nfs/dbraw/zinc/28/93/00/793289300.db2.gz WNRBJGJVYGLUCI-BDAKNGLRSA-N 1 2 364.328 -1.341 20 0 FAADLO Cn1cnc(C(=O)N[C@@H]2C[N@H+](CCCNC(=O)C(F)(F)F)C[C@@H]2O)n1 ZINC001219558636 793289295 /nfs/dbraw/zinc/28/92/95/793289295.db2.gz WNRBJGJVYGLUCI-BDAKNGLRSA-N 1 2 364.328 -1.341 20 0 FAADLO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]2O)o1 ZINC001219558676 793289526 /nfs/dbraw/zinc/28/95/26/793289526.db2.gz XNZJICIGLRWPAH-MNOVXSKESA-N 1 2 361.424 -2.027 20 0 FAADLO Cc1nnc(CC(=O)N[C@@H]2C[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]2O)o1 ZINC001219558676 793289517 /nfs/dbraw/zinc/28/95/17/793289517.db2.gz XNZJICIGLRWPAH-MNOVXSKESA-N 1 2 361.424 -2.027 20 0 FAADLO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](CCNC(=O)NC(C)C)C[C@@H]2O)o1 ZINC001219561592 793290577 /nfs/dbraw/zinc/29/05/77/793290577.db2.gz AGBPLEWLAXYGIK-NEPJUHHUSA-N 1 2 354.411 -1.211 20 0 FAADLO Cc1nnc(CC(=O)N[C@@H]2C[N@H+](CCNC(=O)NC(C)C)C[C@@H]2O)o1 ZINC001219561592 793290566 /nfs/dbraw/zinc/29/05/66/793290566.db2.gz AGBPLEWLAXYGIK-NEPJUHHUSA-N 1 2 354.411 -1.211 20 0 FAADLO CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCNC(=O)NC)[C@@H](O)C1 ZINC001219562654 793290240 /nfs/dbraw/zinc/29/02/40/793290240.db2.gz NQUUJVMYSQRUOE-UPJWGTAASA-N 1 2 357.455 -1.228 20 0 FAADLO CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCNC(=O)NC)[C@@H](O)C1 ZINC001219562654 793290237 /nfs/dbraw/zinc/29/02/37/793290237.db2.gz NQUUJVMYSQRUOE-UPJWGTAASA-N 1 2 357.455 -1.228 20 0 FAADLO CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCNC(=O)NC)[C@@H](O)C1 ZINC001219562660 793290635 /nfs/dbraw/zinc/29/06/35/793290635.db2.gz NQUUJVMYSQRUOE-XQQFMLRXSA-N 1 2 357.455 -1.228 20 0 FAADLO CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCNC(=O)NC)[C@@H](O)C1 ZINC001219562660 793290623 /nfs/dbraw/zinc/29/06/23/793290623.db2.gz NQUUJVMYSQRUOE-XQQFMLRXSA-N 1 2 357.455 -1.228 20 0 FAADLO CNC(=O)NCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCC(C)C)C[C@@H]1O ZINC001219562686 793290209 /nfs/dbraw/zinc/29/02/09/793290209.db2.gz OHJNFHFXDREGPW-UPJWGTAASA-N 1 2 357.455 -1.373 20 0 FAADLO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NCC(C)C)C[C@@H]1O ZINC001219562686 793290200 /nfs/dbraw/zinc/29/02/00/793290200.db2.gz OHJNFHFXDREGPW-UPJWGTAASA-N 1 2 357.455 -1.373 20 0 FAADLO CNC(=O)NCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCC(C)C)C[C@@H]1O ZINC001219562687 793290073 /nfs/dbraw/zinc/29/00/73/793290073.db2.gz OHJNFHFXDREGPW-XQQFMLRXSA-N 1 2 357.455 -1.373 20 0 FAADLO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCC(C)C)C[C@@H]1O ZINC001219562687 793290069 /nfs/dbraw/zinc/29/00/69/793290069.db2.gz OHJNFHFXDREGPW-XQQFMLRXSA-N 1 2 357.455 -1.373 20 0 FAADLO CCn1ncc(C(=O)N[C@@H]2C[N@@H+](CCNC(=O)NC(C)C)C[C@@H]2O)n1 ZINC001219563395 793291487 /nfs/dbraw/zinc/29/14/87/793291487.db2.gz SEUAZOIWXFVONB-OLZOCXBDSA-N 1 2 353.427 -1.220 20 0 FAADLO CCn1ncc(C(=O)N[C@@H]2C[N@H+](CCNC(=O)NC(C)C)C[C@@H]2O)n1 ZINC001219563395 793291480 /nfs/dbraw/zinc/29/14/80/793291480.db2.gz SEUAZOIWXFVONB-OLZOCXBDSA-N 1 2 353.427 -1.220 20 0 FAADLO CCn1nncc1C(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)C)C[C@@H]1O ZINC001219563501 793291297 /nfs/dbraw/zinc/29/12/97/793291297.db2.gz YBPLKCBCRYGKMU-YPMHNXCESA-N 1 2 353.427 -1.220 20 0 FAADLO CCn1nncc1C(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)C)C[C@@H]1O ZINC001219563501 793291289 /nfs/dbraw/zinc/29/12/89/793291289.db2.gz YBPLKCBCRYGKMU-YPMHNXCESA-N 1 2 353.427 -1.220 20 0 FAADLO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@@H]1O ZINC001219564753 793291727 /nfs/dbraw/zinc/29/17/27/793291727.db2.gz AMKLTWUEZXXXSJ-OLZOCXBDSA-N 1 2 355.439 -1.665 20 0 FAADLO CNC(=O)NCCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@@H]1O ZINC001219564753 793291718 /nfs/dbraw/zinc/29/17/18/793291718.db2.gz AMKLTWUEZXXXSJ-OLZOCXBDSA-N 1 2 355.439 -1.665 20 0 FAADLO CC(C)[C@@H](O)C(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1O ZINC001219564991 793291656 /nfs/dbraw/zinc/29/16/56/793291656.db2.gz KSFUKLFOCWXLGP-MBNYWOFBSA-N 1 2 354.407 -2.238 20 0 FAADLO CC(C)[C@@H](O)C(=O)N[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1O ZINC001219564991 793291655 /nfs/dbraw/zinc/29/16/55/793291655.db2.gz KSFUKLFOCWXLGP-MBNYWOFBSA-N 1 2 354.407 -2.238 20 0 FAADLO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@@H]1O ZINC001219565155 793291393 /nfs/dbraw/zinc/29/13/93/793291393.db2.gz UAAJRQHBIQBKEV-OLZOCXBDSA-N 1 2 355.439 -1.521 20 0 FAADLO CNC(=O)NCCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@@H]1O ZINC001219565155 793291383 /nfs/dbraw/zinc/29/13/83/793291383.db2.gz UAAJRQHBIQBKEV-OLZOCXBDSA-N 1 2 355.439 -1.521 20 0 FAADLO CCn1nnc(C)c1C[N@@H+]1C[C@@H](NC(=O)CCNC(=O)NC)[C@@H](O)C1 ZINC001219565615 793292438 /nfs/dbraw/zinc/29/24/38/793292438.db2.gz 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CCS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(=O)CCNC(=O)NC)[C@@H](O)C1 ZINC001219570943 793292801 /nfs/dbraw/zinc/29/28/01/793292801.db2.gz COQKTYOZIPOJPW-MNOVXSKESA-N 1 2 365.456 -2.594 20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1C[C@@H](NC(=O)CCNC(=O)NC)[C@@H](O)C1 ZINC001219570943 793292797 /nfs/dbraw/zinc/29/27/97/793292797.db2.gz COQKTYOZIPOJPW-MNOVXSKESA-N 1 2 365.456 -2.594 20 0 FAADLO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)CS(C)(=O)=O)C[C@@H]1O ZINC001219570994 793292781 /nfs/dbraw/zinc/29/27/81/793292781.db2.gz FIXQDJBBQBZJFF-TUAOUCFPSA-N 1 2 364.468 -1.853 20 0 FAADLO CNC(=O)NCCC(=O)N[C@@H]1C[N@H+](C[C@H](C)CS(C)(=O)=O)C[C@@H]1O ZINC001219570994 793292774 /nfs/dbraw/zinc/29/27/74/793292774.db2.gz FIXQDJBBQBZJFF-TUAOUCFPSA-N 1 2 364.468 -1.853 20 0 FAADLO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)CS(C)(=O)=O)C[C@@H]1O ZINC001219570995 793292386 /nfs/dbraw/zinc/29/23/86/793292386.db2.gz FIXQDJBBQBZJFF-UTUOFQBUSA-N 1 2 364.468 -1.853 20 0 FAADLO CNC(=O)NCCC(=O)N[C@@H]1C[N@H+](C[C@@H](C)CS(C)(=O)=O)C[C@@H]1O ZINC001219570995 793292378 /nfs/dbraw/zinc/29/23/78/793292378.db2.gz FIXQDJBBQBZJFF-UTUOFQBUSA-N 1 2 364.468 -1.853 20 0 FAADLO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001219571029 793293534 /nfs/dbraw/zinc/29/35/34/793293534.db2.gz GWCLOKSXPHQRKH-ZJUUUORDSA-N 1 2 351.429 -2.984 20 0 FAADLO CNC(=O)NCCC(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001219571029 793293523 /nfs/dbraw/zinc/29/35/23/793293523.db2.gz GWCLOKSXPHQRKH-ZJUUUORDSA-N 1 2 351.429 -2.984 20 0 FAADLO CNC(=O)NCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C(C)C)C2=O)C[C@@H]1O ZINC001219571037 793293570 /nfs/dbraw/zinc/29/35/70/793293570.db2.gz HIPSJYJUCQSACK-AGIUHOORSA-N 1 2 355.439 -1.524 20 0 FAADLO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C(C)C)C2=O)C[C@@H]1O ZINC001219571037 793293562 /nfs/dbraw/zinc/29/35/62/793293562.db2.gz HIPSJYJUCQSACK-AGIUHOORSA-N 1 2 355.439 -1.524 20 0 FAADLO 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CC(C)NC(=O)NCC[N@H+]1C[C@@H](NC(=O)CO[C@@H]2CCOC2)[C@@H](O)C1 ZINC001219625432 793307988 /nfs/dbraw/zinc/30/79/88/793307988.db2.gz NQSRTAYQVLPRQX-MCIONIFRSA-N 1 2 358.439 -1.339 20 0 FAADLO CC(C)NC(=O)NCC[N@@H+]1C[C@@H](NC(=O)CO[C@H]2CCOC2)[C@@H](O)C1 ZINC001219625433 793308421 /nfs/dbraw/zinc/30/84/21/793308421.db2.gz NQSRTAYQVLPRQX-MJBXVCDLSA-N 1 2 358.439 -1.339 20 0 FAADLO CC(C)NC(=O)NCC[N@H+]1C[C@@H](NC(=O)CO[C@H]2CCOC2)[C@@H](O)C1 ZINC001219625433 793308416 /nfs/dbraw/zinc/30/84/16/793308416.db2.gz NQSRTAYQVLPRQX-MJBXVCDLSA-N 1 2 358.439 -1.339 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](NC(=O)CO[C@@H]2CCOC2)[C@@H](O)C1)S(C)(=O)=O ZINC001219625686 793308393 /nfs/dbraw/zinc/30/83/93/793308393.db2.gz XKQZGEZVGFJUNB-UPJWGTAASA-N 1 2 365.452 -2.155 20 0 FAADLO CN(CC[N@H+]1C[C@@H](NC(=O)CO[C@@H]2CCOC2)[C@@H](O)C1)S(C)(=O)=O ZINC001219625686 793308382 /nfs/dbraw/zinc/30/83/82/793308382.db2.gz XKQZGEZVGFJUNB-UPJWGTAASA-N 1 2 365.452 -2.155 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](NC(=O)CO[C@H]2CCOC2)[C@@H](O)C1)S(C)(=O)=O ZINC001219625687 793308209 /nfs/dbraw/zinc/30/82/09/793308209.db2.gz XKQZGEZVGFJUNB-XQQFMLRXSA-N 1 2 365.452 -2.155 20 0 FAADLO CN(CC[N@H+]1C[C@@H](NC(=O)CO[C@H]2CCOC2)[C@@H](O)C1)S(C)(=O)=O ZINC001219625687 793308204 /nfs/dbraw/zinc/30/82/04/793308204.db2.gz XKQZGEZVGFJUNB-XQQFMLRXSA-N 1 2 365.452 -2.155 20 0 FAADLO CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)CO[C@@H]2CCOC2)[C@@H](O)C1)C1CC1 ZINC001219625723 793308710 /nfs/dbraw/zinc/30/87/10/793308710.db2.gz YMMXCSRUNCZAGF-KFWWJZLASA-N 1 2 355.435 -1.036 20 0 FAADLO CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)CO[C@@H]2CCOC2)[C@@H](O)C1)C1CC1 ZINC001219625723 793308699 /nfs/dbraw/zinc/30/86/99/793308699.db2.gz YMMXCSRUNCZAGF-KFWWJZLASA-N 1 2 355.435 -1.036 20 0 FAADLO CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)CO[C@H]2CCOC2)[C@@H](O)C1)C1CC1 ZINC001219625724 793307938 /nfs/dbraw/zinc/30/79/38/793307938.db2.gz YMMXCSRUNCZAGF-ZNMIVQPWSA-N 1 2 355.435 -1.036 20 0 FAADLO CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)CO[C@H]2CCOC2)[C@@H](O)C1)C1CC1 ZINC001219625724 793307925 /nfs/dbraw/zinc/30/79/25/793307925.db2.gz YMMXCSRUNCZAGF-ZNMIVQPWSA-N 1 2 355.435 -1.036 20 0 FAADLO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CC2(CS(C)(=O)=O)CC2)[C@@H](O)C1 ZINC001219627342 793309289 /nfs/dbraw/zinc/30/92/89/793309289.db2.gz XCWJBYGJOAVWHA-UPJWGTAASA-N 1 2 364.464 -1.630 20 0 FAADLO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CC2(CS(C)(=O)=O)CC2)[C@@H](O)C1 ZINC001219627342 793309265 /nfs/dbraw/zinc/30/92/65/793309265.db2.gz XCWJBYGJOAVWHA-UPJWGTAASA-N 1 2 364.464 -1.630 20 0 FAADLO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CC2(CS(C)(=O)=O)CC2)[C@@H](O)C1 ZINC001219627343 793309872 /nfs/dbraw/zinc/30/98/72/793309872.db2.gz XCWJBYGJOAVWHA-XQQFMLRXSA-N 1 2 364.464 -1.630 20 0 FAADLO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CC2(CS(C)(=O)=O)CC2)[C@@H](O)C1 ZINC001219627343 793309865 /nfs/dbraw/zinc/30/98/65/793309865.db2.gz XCWJBYGJOAVWHA-XQQFMLRXSA-N 1 2 364.464 -1.630 20 0 FAADLO Cc1csc(=O)n1CC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)NC(N)=O)[C@@H](O)C1 ZINC001219627986 793309312 /nfs/dbraw/zinc/30/93/12/793309312.db2.gz BJKNSVUPLFHMRB-JLLWLGSASA-N 1 2 371.463 -1.174 20 0 FAADLO Cc1csc(=O)n1CC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)NC(N)=O)[C@@H](O)C1 ZINC001219627986 793309308 /nfs/dbraw/zinc/30/93/08/793309308.db2.gz BJKNSVUPLFHMRB-JLLWLGSASA-N 1 2 371.463 -1.174 20 0 FAADLO Cc1csc(=O)n1CC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)NC(N)=O)[C@@H](O)C1 ZINC001219627991 793309464 /nfs/dbraw/zinc/30/94/64/793309464.db2.gz BJKNSVUPLFHMRB-WCQGTBRESA-N 1 2 371.463 -1.174 20 0 FAADLO Cc1csc(=O)n1CC[N@H+]1C[C@@H](NC(=O)C[C@H](C)NC(N)=O)[C@@H](O)C1 ZINC001219627991 793309456 /nfs/dbraw/zinc/30/94/56/793309456.db2.gz BJKNSVUPLFHMRB-WCQGTBRESA-N 1 2 371.463 -1.174 20 0 FAADLO CCS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)NC(N)=O)[C@@H](O)C1 ZINC001219628025 793309221 /nfs/dbraw/zinc/30/92/21/793309221.db2.gz CCUOVCXIYRFFNQ-AXFHLTTASA-N 1 2 365.456 -2.466 20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)NC(N)=O)[C@@H](O)C1 ZINC001219628025 793309213 /nfs/dbraw/zinc/30/92/13/793309213.db2.gz CCUOVCXIYRFFNQ-AXFHLTTASA-N 1 2 365.456 -2.466 20 0 FAADLO CCS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)NC(N)=O)[C@@H](O)C1 ZINC001219628026 793309641 /nfs/dbraw/zinc/30/96/41/793309641.db2.gz CCUOVCXIYRFFNQ-MXWKQRLJSA-N 1 2 365.456 -2.466 20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)NC(N)=O)[C@@H](O)C1 ZINC001219628026 793309633 /nfs/dbraw/zinc/30/96/33/793309633.db2.gz CCUOVCXIYRFFNQ-MXWKQRLJSA-N 1 2 365.456 -2.466 20 0 FAADLO CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)NC(N)=O)[C@@H](O)C1)C1CC1 ZINC001219628234 793309011 /nfs/dbraw/zinc/30/90/11/793309011.db2.gz IGZJYJKQBHJPHQ-RTXFEEFZSA-N 1 2 355.439 -1.395 20 0 FAADLO CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)C[C@@H](C)NC(N)=O)[C@@H](O)C1)C1CC1 ZINC001219628234 793309004 /nfs/dbraw/zinc/30/90/04/793309004.db2.gz IGZJYJKQBHJPHQ-RTXFEEFZSA-N 1 2 355.439 -1.395 20 0 FAADLO CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@H](C)NC(N)=O)[C@@H](O)C1)C1CC1 ZINC001219628235 793309046 /nfs/dbraw/zinc/30/90/46/793309046.db2.gz IGZJYJKQBHJPHQ-UHTWSYAYSA-N 1 2 355.439 -1.395 20 0 FAADLO CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)C[C@H](C)NC(N)=O)[C@@H](O)C1)C1CC1 ZINC001219628235 793309035 /nfs/dbraw/zinc/30/90/35/793309035.db2.gz IGZJYJKQBHJPHQ-UHTWSYAYSA-N 1 2 355.439 -1.395 20 0 FAADLO C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@@H]1O)NC(N)=O ZINC001219628387 793309447 /nfs/dbraw/zinc/30/94/47/793309447.db2.gz JOCSFUKNUPWPOP-AEJSXWLSSA-N 1 2 351.429 -2.856 20 0 FAADLO C[C@@H](CC(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@@H]1O)NC(N)=O ZINC001219628387 793309438 /nfs/dbraw/zinc/30/94/38/793309438.db2.gz JOCSFUKNUPWPOP-AEJSXWLSSA-N 1 2 351.429 -2.856 20 0 FAADLO C[C@H](CC(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@@H]1O)NC(N)=O ZINC001219628388 793309768 /nfs/dbraw/zinc/30/97/68/793309768.db2.gz JOCSFUKNUPWPOP-BBBLOLIVSA-N 1 2 351.429 -2.856 20 0 FAADLO C[C@H](CC(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@@H]1O)NC(N)=O ZINC001219628388 793309760 /nfs/dbraw/zinc/30/97/60/793309760.db2.gz JOCSFUKNUPWPOP-BBBLOLIVSA-N 1 2 351.429 -2.856 20 0 FAADLO Cc1cnccc1CC(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001219634908 793310056 /nfs/dbraw/zinc/31/00/56/793310056.db2.gz JYLBTVUFWFFQAG-KGLIPLIRSA-N 1 2 356.448 -1.357 20 0 FAADLO Cc1cnccc1CC(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001219634908 793310049 /nfs/dbraw/zinc/31/00/49/793310049.db2.gz JYLBTVUFWFFQAG-KGLIPLIRSA-N 1 2 356.448 -1.357 20 0 FAADLO Cc1cnccc1CC(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001219635254 793310676 /nfs/dbraw/zinc/31/06/76/793310676.db2.gz XYMIIKVDWQCXQO-CABCVRRESA-N 1 2 370.475 -1.015 20 0 FAADLO Cc1cnccc1CC(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001219635254 793310669 /nfs/dbraw/zinc/31/06/69/793310669.db2.gz XYMIIKVDWQCXQO-CABCVRRESA-N 1 2 370.475 -1.015 20 0 FAADLO CCC(CC)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001219637326 793310551 /nfs/dbraw/zinc/31/05/51/793310551.db2.gz BJDLONQSULIHEL-RTXFEEFZSA-N 1 2 353.427 -1.472 20 0 FAADLO CCC(CC)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001219637326 793310540 /nfs/dbraw/zinc/31/05/40/793310540.db2.gz BJDLONQSULIHEL-RTXFEEFZSA-N 1 2 353.427 -1.472 20 0 FAADLO CCC(CC)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001219637327 793310817 /nfs/dbraw/zinc/31/08/17/793310817.db2.gz BJDLONQSULIHEL-UHTWSYAYSA-N 1 2 353.427 -1.472 20 0 FAADLO CCC(CC)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001219637327 793310808 /nfs/dbraw/zinc/31/08/08/793310808.db2.gz BJDLONQSULIHEL-UHTWSYAYSA-N 1 2 353.427 -1.472 20 0 FAADLO Cc1nn(C)c(C)c1OCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001219637484 793310119 /nfs/dbraw/zinc/31/01/19/793310119.db2.gz FOUSCNWMGCRQAA-OLZOCXBDSA-N 1 2 353.423 -1.335 20 0 FAADLO Cc1nn(C)c(C)c1OCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001219637484 793310115 /nfs/dbraw/zinc/31/01/15/793310115.db2.gz FOUSCNWMGCRQAA-OLZOCXBDSA-N 1 2 353.423 -1.335 20 0 FAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)COc2c(C)nn(C)c2C)[C@@H](O)C1 ZINC001219637529 793310501 /nfs/dbraw/zinc/31/05/01/793310501.db2.gz GXEKWJYDIIDEMM-AGIUHOORSA-N 1 2 353.423 -1.159 20 0 FAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)COc2c(C)nn(C)c2C)[C@@H](O)C1 ZINC001219637529 793310491 /nfs/dbraw/zinc/31/04/91/793310491.db2.gz GXEKWJYDIIDEMM-AGIUHOORSA-N 1 2 353.423 -1.159 20 0 FAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)COc2c(C)nn(C)c2C)[C@@H](O)C1 ZINC001219637531 793573869 /nfs/dbraw/zinc/57/38/69/793573869.db2.gz GXEKWJYDIIDEMM-UPJWGTAASA-N 1 2 353.423 -1.159 20 0 FAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)COc2c(C)nn(C)c2C)[C@@H](O)C1 ZINC001219637531 793573866 /nfs/dbraw/zinc/57/38/66/793573866.db2.gz GXEKWJYDIIDEMM-UPJWGTAASA-N 1 2 353.423 -1.159 20 0 FAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)COc2c(C)nn(C)c2C)[C@@H](O)C1 ZINC001219637882 793573653 /nfs/dbraw/zinc/57/36/53/793573653.db2.gz MSFGAMVRXNNOMU-UPJWGTAASA-N 1 2 353.423 -1.288 20 0 FAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)COc2c(C)nn(C)c2C)[C@@H](O)C1 ZINC001219637882 793573648 /nfs/dbraw/zinc/57/36/48/793573648.db2.gz MSFGAMVRXNNOMU-UPJWGTAASA-N 1 2 353.423 -1.288 20 0 FAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)COc2c(C)nn(C)c2C)[C@@H](O)C1 ZINC001219637884 793573759 /nfs/dbraw/zinc/57/37/59/793573759.db2.gz MSFGAMVRXNNOMU-XQQFMLRXSA-N 1 2 353.423 -1.288 20 0 FAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)COc2c(C)nn(C)c2C)[C@@H](O)C1 ZINC001219637884 793573755 /nfs/dbraw/zinc/57/37/55/793573755.db2.gz MSFGAMVRXNNOMU-XQQFMLRXSA-N 1 2 353.423 -1.288 20 0 FAADLO CC(C)(C)NC(=O)NCC[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001219638098 793573725 /nfs/dbraw/zinc/57/37/25/793573725.db2.gz PYFKOKUPRQDFRC-MNOVXSKESA-N 1 2 354.415 -2.068 20 0 FAADLO CC(C)(C)NC(=O)NCC[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001219638098 793573718 /nfs/dbraw/zinc/57/37/18/793573718.db2.gz 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-2.624 20 0 FAADLO COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001219638527 793573470 /nfs/dbraw/zinc/57/34/70/793573470.db2.gz WSZWLNPAZFDNCZ-TUAOUCFPSA-N 1 2 355.399 -2.624 20 0 FAADLO COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001219638530 793573596 /nfs/dbraw/zinc/57/35/96/793573596.db2.gz WSZWLNPAZFDNCZ-UTUOFQBUSA-N 1 2 355.399 -2.624 20 0 FAADLO COCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001219638530 793573593 /nfs/dbraw/zinc/57/35/93/793573593.db2.gz WSZWLNPAZFDNCZ-UTUOFQBUSA-N 1 2 355.399 -2.624 20 0 FAADLO CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001219638763 793573638 /nfs/dbraw/zinc/57/36/38/793573638.db2.gz ZNHMDALPFDUUHA-TUAOUCFPSA-N 1 2 353.427 -1.472 20 0 FAADLO CCC(C)(C)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001219638763 793573635 /nfs/dbraw/zinc/57/36/35/793573635.db2.gz ZNHMDALPFDUUHA-TUAOUCFPSA-N 1 2 353.427 -1.472 20 0 FAADLO 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Cc1cc(C(=O)N[C@@H]2C[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]2O)c(C)nn1 ZINC001219702138 793584691 /nfs/dbraw/zinc/58/46/91/793584691.db2.gz FHSZUNOQKSLLRO-KGLIPLIRSA-N 1 2 371.463 -1.240 20 0 FAADLO COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001219704619 793584400 /nfs/dbraw/zinc/58/44/00/793584400.db2.gz BVCJNEFYGXFYTP-UPJWGTAASA-N 1 2 354.411 -2.019 20 0 FAADLO COCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001219704619 793584395 /nfs/dbraw/zinc/58/43/95/793584395.db2.gz BVCJNEFYGXFYTP-UPJWGTAASA-N 1 2 354.411 -2.019 20 0 FAADLO COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001219704620 793584817 /nfs/dbraw/zinc/58/48/17/793584817.db2.gz BVCJNEFYGXFYTP-XQQFMLRXSA-N 1 2 354.411 -2.019 20 0 FAADLO COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001219704620 793584810 /nfs/dbraw/zinc/58/48/10/793584810.db2.gz BVCJNEFYGXFYTP-XQQFMLRXSA-N 1 2 354.411 -2.019 20 0 FAADLO CC(C)CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001219705129 793585081 /nfs/dbraw/zinc/58/50/81/793585081.db2.gz VWBLUZNUDNWQBL-MCIONIFRSA-N 1 2 352.439 -1.010 20 0 FAADLO CC(C)CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001219705129 793585074 /nfs/dbraw/zinc/58/50/74/793585074.db2.gz VWBLUZNUDNWQBL-MCIONIFRSA-N 1 2 352.439 -1.010 20 0 FAADLO CC(C)CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001219705130 793584557 /nfs/dbraw/zinc/58/45/57/793584557.db2.gz VWBLUZNUDNWQBL-MJBXVCDLSA-N 1 2 352.439 -1.010 20 0 FAADLO CC(C)CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001219705130 793584552 /nfs/dbraw/zinc/58/45/52/793584552.db2.gz VWBLUZNUDNWQBL-MJBXVCDLSA-N 1 2 352.439 -1.010 20 0 FAADLO CC(C)(C)NC(=O)NCC[N@@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001219705192 793585976 /nfs/dbraw/zinc/58/59/76/793585976.db2.gz YLBCAMLEFBZBPX-NEPJUHHUSA-N 1 2 353.427 -1.463 20 0 FAADLO CC(C)(C)NC(=O)NCC[N@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001219705192 793585970 /nfs/dbraw/zinc/58/59/70/793585970.db2.gz YLBCAMLEFBZBPX-NEPJUHHUSA-N 1 2 353.427 -1.463 20 0 FAADLO CS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(=O)CCc2ccncn2)[C@@H](O)C1 ZINC001219716727 793585648 /nfs/dbraw/zinc/58/56/48/793585648.db2.gz AEPMMSSDBWMDDJ-OLZOCXBDSA-N 1 2 357.436 -1.880 20 0 FAADLO CS(=O)(=O)NCC[N@H+]1C[C@@H](NC(=O)CCc2ccncn2)[C@@H](O)C1 ZINC001219716727 793585639 /nfs/dbraw/zinc/58/56/39/793585639.db2.gz AEPMMSSDBWMDDJ-OLZOCXBDSA-N 1 2 357.436 -1.880 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](NC(=O)CCc2ccncn2)[C@@H](O)C1 ZINC001219717093 793585462 /nfs/dbraw/zinc/58/54/62/793585462.db2.gz NINVXLGJSIIZSB-JLLWLGSASA-N 1 2 350.379 -1.846 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](NC(=O)CCc2ccncn2)[C@@H](O)C1 ZINC001219717093 793585461 /nfs/dbraw/zinc/58/54/61/793585461.db2.gz NINVXLGJSIIZSB-JLLWLGSASA-N 1 2 350.379 -1.846 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](NC(=O)CCc2ccncn2)[C@@H](O)C1 ZINC001219717094 793585492 /nfs/dbraw/zinc/58/54/92/793585492.db2.gz NINVXLGJSIIZSB-WCQGTBRESA-N 1 2 350.379 -1.846 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](NC(=O)CCc2ccncn2)[C@@H](O)C1 ZINC001219717094 793585489 /nfs/dbraw/zinc/58/54/89/793585489.db2.gz NINVXLGJSIIZSB-WCQGTBRESA-N 1 2 350.379 -1.846 20 0 FAADLO CCS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(=O)CCc2ccncn2)[C@@H](O)C1 ZINC001219717342 793585581 /nfs/dbraw/zinc/58/55/81/793585581.db2.gz UUPFDPSRVFBPBD-KGLIPLIRSA-N 1 2 371.463 -1.490 20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1C[C@@H](NC(=O)CCc2ccncn2)[C@@H](O)C1 ZINC001219717342 793585571 /nfs/dbraw/zinc/58/55/71/793585571.db2.gz UUPFDPSRVFBPBD-KGLIPLIRSA-N 1 2 371.463 -1.490 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](NC(=O)CCc2ccncn2)[C@@H](O)C1)S(C)(=O)=O ZINC001219721960 793586439 /nfs/dbraw/zinc/58/64/39/793586439.db2.gz LNCPNUQETZJSFC-KGLIPLIRSA-N 1 2 371.463 -1.538 20 0 FAADLO CN(CC[N@H+]1C[C@@H](NC(=O)CCc2ccncn2)[C@@H](O)C1)S(C)(=O)=O ZINC001219721960 793586433 /nfs/dbraw/zinc/58/64/33/793586433.db2.gz LNCPNUQETZJSFC-KGLIPLIRSA-N 1 2 371.463 -1.538 20 0 FAADLO Cn1ccc(CCC(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@@H]2O)n1 ZINC001219724485 793586967 /nfs/dbraw/zinc/58/69/67/793586967.db2.gz NKXBUGCVKWUWDL-CFVMTHIKSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1ccc(CCC(=O)N[C@@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@@H]2O)n1 ZINC001219724485 793586961 /nfs/dbraw/zinc/58/69/61/793586961.db2.gz NKXBUGCVKWUWDL-CFVMTHIKSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1ccc(CCC(=O)N[C@@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@@H]2O)n1 ZINC001219724486 793586907 /nfs/dbraw/zinc/58/69/07/793586907.db2.gz NKXBUGCVKWUWDL-YUELXQCFSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1ccc(CCC(=O)N[C@@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@@H]2O)n1 ZINC001219724486 793586902 /nfs/dbraw/zinc/58/69/02/793586902.db2.gz NKXBUGCVKWUWDL-YUELXQCFSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1ccc(CCC(=O)N[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@@H]2O)n1 ZINC001219725634 793586476 /nfs/dbraw/zinc/58/64/76/793586476.db2.gz HYFNGLGNNBUQMS-OLZOCXBDSA-N 1 2 359.452 -1.937 20 0 FAADLO Cn1ccc(CCC(=O)N[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@@H]2O)n1 ZINC001219725634 793586470 /nfs/dbraw/zinc/58/64/70/793586470.db2.gz HYFNGLGNNBUQMS-OLZOCXBDSA-N 1 2 359.452 -1.937 20 0 FAADLO Cn1nccc1CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001219727416 793586389 /nfs/dbraw/zinc/58/63/89/793586389.db2.gz HTDOJUXQZAHGLF-CFVMTHIKSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1nccc1CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001219727416 793586381 /nfs/dbraw/zinc/58/63/81/793586381.db2.gz HTDOJUXQZAHGLF-CFVMTHIKSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1nccc1CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001219727417 793586698 /nfs/dbraw/zinc/58/66/98/793586698.db2.gz HTDOJUXQZAHGLF-YUELXQCFSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1nccc1CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001219727417 793586693 /nfs/dbraw/zinc/58/66/93/793586693.db2.gz HTDOJUXQZAHGLF-YUELXQCFSA-N 1 2 370.475 -1.051 20 0 FAADLO Cn1nccc1CCC(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001219727578 793586607 /nfs/dbraw/zinc/58/66/07/793586607.db2.gz LKTMSQFFEIURMA-OLZOCXBDSA-N 1 2 359.452 -1.937 20 0 FAADLO Cn1nccc1CCC(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001219727578 793586600 /nfs/dbraw/zinc/58/66/00/793586600.db2.gz LKTMSQFFEIURMA-OLZOCXBDSA-N 1 2 359.452 -1.937 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](NC(=O)CCc2ccn(C)n2)[C@@H](O)C1 ZINC001219727614 793586457 /nfs/dbraw/zinc/58/64/57/793586457.db2.gz NJKNXBABQFRBKY-JLLWLGSASA-N 1 2 352.395 -1.903 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](NC(=O)CCc2ccn(C)n2)[C@@H](O)C1 ZINC001219727614 793586452 /nfs/dbraw/zinc/58/64/52/793586452.db2.gz NJKNXBABQFRBKY-JLLWLGSASA-N 1 2 352.395 -1.903 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](NC(=O)CCc2ccn(C)n2)[C@@H](O)C1 ZINC001219727615 793586651 /nfs/dbraw/zinc/58/66/51/793586651.db2.gz NJKNXBABQFRBKY-WCQGTBRESA-N 1 2 352.395 -1.903 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](NC(=O)CCc2ccn(C)n2)[C@@H](O)C1 ZINC001219727615 793586648 /nfs/dbraw/zinc/58/66/48/793586648.db2.gz NJKNXBABQFRBKY-WCQGTBRESA-N 1 2 352.395 -1.903 20 0 FAADLO CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)[C@@H](O)C1 ZINC001219729892 793586713 /nfs/dbraw/zinc/58/67/13/793586713.db2.gz NONFUEWUBDMFCS-MCIONIFRSA-N 1 2 352.435 -1.506 20 0 FAADLO CN(CC1CC1)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)[C@@H](O)C1 ZINC001219729892 793586708 /nfs/dbraw/zinc/58/67/08/793586708.db2.gz NONFUEWUBDMFCS-MCIONIFRSA-N 1 2 352.435 -1.506 20 0 FAADLO CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)[C@@H](O)C1 ZINC001219729893 793586798 /nfs/dbraw/zinc/58/67/98/793586798.db2.gz NONFUEWUBDMFCS-MJBXVCDLSA-N 1 2 352.435 -1.506 20 0 FAADLO 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CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CNS(=O)(=O)CC)[C@@H](O)C2)C1=O ZINC001219733687 793591294 /nfs/dbraw/zinc/59/12/94/793591294.db2.gz ZBDVAFUKQMYNLU-WOPDTQHZSA-N 1 2 362.452 -2.292 20 0 FAADLO Cc1cc(C[N@@H+]2C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C2)ncn1 ZINC001219734752 793591428 /nfs/dbraw/zinc/59/14/28/793591428.db2.gz BENKTXBHKZXAQJ-OLZOCXBDSA-N 1 2 357.436 -1.614 20 0 FAADLO Cc1cc(C[N@H+]2C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C2)ncn1 ZINC001219734752 793591424 /nfs/dbraw/zinc/59/14/24/793591424.db2.gz BENKTXBHKZXAQJ-OLZOCXBDSA-N 1 2 357.436 -1.614 20 0 FAADLO CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C2)C1=O ZINC001219734798 793591192 /nfs/dbraw/zinc/59/11/92/793591192.db2.gz DVNDSNYNKAEHAT-UTUOFQBUSA-N 1 2 362.452 -2.292 20 0 FAADLO CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C2)C1=O ZINC001219734798 793591189 /nfs/dbraw/zinc/59/11/89/793591189.db2.gz DVNDSNYNKAEHAT-UTUOFQBUSA-N 1 2 362.452 -2.292 20 0 FAADLO CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C2)C1=O ZINC001219734799 793590889 /nfs/dbraw/zinc/59/08/89/793590889.db2.gz DVNDSNYNKAEHAT-WOPDTQHZSA-N 1 2 362.452 -2.292 20 0 FAADLO CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C2)C1=O ZINC001219734799 793590883 /nfs/dbraw/zinc/59/08/83/793590883.db2.gz DVNDSNYNKAEHAT-WOPDTQHZSA-N 1 2 362.452 -2.292 20 0 FAADLO Cc1nccnc1C[N@@H+]1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 ZINC001219734802 793590910 /nfs/dbraw/zinc/59/09/10/793590910.db2.gz FCTHCRKKSFQVNA-OLZOCXBDSA-N 1 2 357.436 -1.614 20 0 FAADLO Cc1nccnc1C[N@H+]1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 ZINC001219734802 793590902 /nfs/dbraw/zinc/59/09/02/793590902.db2.gz FCTHCRKKSFQVNA-OLZOCXBDSA-N 1 2 357.436 -1.614 20 0 FAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 ZINC001219734815 793591099 /nfs/dbraw/zinc/59/10/99/793591099.db2.gz FQAYLFZJNOVXSU-AXFHLTTASA-N 1 2 350.441 -2.436 20 0 FAADLO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 ZINC001219734815 793591094 /nfs/dbraw/zinc/59/10/94/793591094.db2.gz FQAYLFZJNOVXSU-AXFHLTTASA-N 1 2 350.441 -2.436 20 0 FAADLO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 ZINC001219734816 793591378 /nfs/dbraw/zinc/59/13/78/793591378.db2.gz FQAYLFZJNOVXSU-MXWKQRLJSA-N 1 2 350.441 -2.436 20 0 FAADLO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 ZINC001219734816 793591374 /nfs/dbraw/zinc/59/13/74/793591374.db2.gz FQAYLFZJNOVXSU-MXWKQRLJSA-N 1 2 350.441 -2.436 20 0 FAADLO Cc1cnc([C@@H](C)[N@@H+]2C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C2)cn1 ZINC001219734841 793591143 /nfs/dbraw/zinc/59/11/43/793591143.db2.gz GVRLYLGIJFJSEY-BNOWGMLFSA-N 1 2 371.463 -1.053 20 0 FAADLO Cc1cnc([C@@H](C)[N@H+]2C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C2)cn1 ZINC001219734841 793591138 /nfs/dbraw/zinc/59/11/38/793591138.db2.gz GVRLYLGIJFJSEY-BNOWGMLFSA-N 1 2 371.463 -1.053 20 0 FAADLO Cc1cnc([C@H](C)[N@@H+]2C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C2)cn1 ZINC001219734842 793591449 /nfs/dbraw/zinc/59/14/49/793591449.db2.gz GVRLYLGIJFJSEY-YUTCNCBUSA-N 1 2 371.463 -1.053 20 0 FAADLO Cc1cnc([C@H](C)[N@H+]2C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C2)cn1 ZINC001219734842 793591442 /nfs/dbraw/zinc/59/14/42/793591442.db2.gz GVRLYLGIJFJSEY-YUTCNCBUSA-N 1 2 371.463 -1.053 20 0 FAADLO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 ZINC001219734863 793591319 /nfs/dbraw/zinc/59/13/19/793591319.db2.gz HRNYEYAXKPGGNW-JLLWLGSASA-N 1 2 362.452 -2.246 20 0 FAADLO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 ZINC001219734863 793591313 /nfs/dbraw/zinc/59/13/13/793591313.db2.gz HRNYEYAXKPGGNW-JLLWLGSASA-N 1 2 362.452 -2.246 20 0 FAADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 ZINC001219734864 793591357 /nfs/dbraw/zinc/59/13/57/793591357.db2.gz HRNYEYAXKPGGNW-WCQGTBRESA-N 1 2 362.452 -2.246 20 0 FAADLO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 ZINC001219734864 793591348 /nfs/dbraw/zinc/59/13/48/793591348.db2.gz HRNYEYAXKPGGNW-WCQGTBRESA-N 1 2 362.452 -2.246 20 0 FAADLO CS(=O)(=O)NCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219734890 793592135 /nfs/dbraw/zinc/59/21/35/793592135.db2.gz IXOPCQXFZBNSOM-BBBLOLIVSA-N 1 2 362.408 -3.108 20 0 FAADLO CS(=O)(=O)NCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219734890 793592132 /nfs/dbraw/zinc/59/21/32/793592132.db2.gz IXOPCQXFZBNSOM-BBBLOLIVSA-N 1 2 362.408 -3.108 20 0 FAADLO CS(=O)(=O)NCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219734891 793591937 /nfs/dbraw/zinc/59/19/37/793591937.db2.gz IXOPCQXFZBNSOM-UTLUCORTSA-N 1 2 362.408 -3.108 20 0 FAADLO CS(=O)(=O)NCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219734891 793591931 /nfs/dbraw/zinc/59/19/31/793591931.db2.gz IXOPCQXFZBNSOM-UTLUCORTSA-N 1 2 362.408 -3.108 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 ZINC001219734909 793591893 /nfs/dbraw/zinc/59/18/93/793591893.db2.gz KEYAPAARCDOMMQ-HLTSFMKQSA-N 1 2 365.412 -3.330 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 ZINC001219734909 793591889 /nfs/dbraw/zinc/59/18/89/793591889.db2.gz KEYAPAARCDOMMQ-HLTSFMKQSA-N 1 2 365.412 -3.330 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 ZINC001219734910 793591788 /nfs/dbraw/zinc/59/17/88/793591788.db2.gz KEYAPAARCDOMMQ-YIZRAAEISA-N 1 2 365.412 -3.330 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 ZINC001219734910 793591782 /nfs/dbraw/zinc/59/17/82/793591782.db2.gz KEYAPAARCDOMMQ-YIZRAAEISA-N 1 2 365.412 -3.330 20 0 FAADLO CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)CNS(=O)(=O)CC)[C@@H](O)C1 ZINC001219734916 793592299 /nfs/dbraw/zinc/59/22/99/793592299.db2.gz KJPLHGYPBDKWHS-NEPJUHHUSA-N 1 2 364.468 -2.045 20 0 FAADLO CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)CNS(=O)(=O)CC)[C@@H](O)C1 ZINC001219734916 793592295 /nfs/dbraw/zinc/59/22/95/793592295.db2.gz KJPLHGYPBDKWHS-NEPJUHHUSA-N 1 2 364.468 -2.045 20 0 FAADLO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@@H]1O ZINC001219734945 793592391 /nfs/dbraw/zinc/59/23/91/793592391.db2.gz LVBBHVZQYHDGAV-MNOVXSKESA-N 1 2 364.468 -1.998 20 0 FAADLO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@@H]1O ZINC001219734945 793592383 /nfs/dbraw/zinc/59/23/83/793592383.db2.gz LVBBHVZQYHDGAV-MNOVXSKESA-N 1 2 364.468 -1.998 20 0 FAADLO Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C2)cn1 ZINC001219734947 793591879 /nfs/dbraw/zinc/59/18/79/793591879.db2.gz LWFIALGOPODYEV-OLZOCXBDSA-N 1 2 357.436 -1.614 20 0 FAADLO Cc1ncc(C[N@H+]2C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C2)cn1 ZINC001219734947 793591872 /nfs/dbraw/zinc/59/18/72/793591872.db2.gz LWFIALGOPODYEV-OLZOCXBDSA-N 1 2 357.436 -1.614 20 0 FAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H](O)C1 ZINC001219734960 793592373 /nfs/dbraw/zinc/59/23/73/793592373.db2.gz MZKLUNJDUZHJOB-MNOVXSKESA-N 1 2 350.441 -2.483 20 0 FAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H](O)C1 ZINC001219734960 793592368 /nfs/dbraw/zinc/59/23/68/793592368.db2.gz MZKLUNJDUZHJOB-MNOVXSKESA-N 1 2 350.441 -2.483 20 0 FAADLO C[C@H](c1cnccn1)[N@@H+]1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 ZINC001219734969 793592049 /nfs/dbraw/zinc/59/20/49/793592049.db2.gz NEFKASRMEUPNNV-RTXFEEFZSA-N 1 2 357.436 -1.362 20 0 FAADLO C[C@H](c1cnccn1)[N@H+]1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 ZINC001219734969 793592042 /nfs/dbraw/zinc/59/20/42/793592042.db2.gz NEFKASRMEUPNNV-RTXFEEFZSA-N 1 2 357.436 -1.362 20 0 FAADLO C[C@@H](c1cnccn1)[N@@H+]1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 ZINC001219734970 793592075 /nfs/dbraw/zinc/59/20/75/793592075.db2.gz NEFKASRMEUPNNV-UHTWSYAYSA-N 1 2 357.436 -1.362 20 0 FAADLO C[C@@H](c1cnccn1)[N@H+]1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 ZINC001219734970 793592059 /nfs/dbraw/zinc/59/20/59/793592059.db2.gz NEFKASRMEUPNNV-UHTWSYAYSA-N 1 2 357.436 -1.362 20 0 FAADLO Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C2)o1 ZINC001219734979 793592157 /nfs/dbraw/zinc/59/21/57/793592157.db2.gz NQJYNLQYOFOEFR-NEPJUHHUSA-N 1 2 360.436 -1.108 20 0 FAADLO Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C2)o1 ZINC001219734979 793592148 /nfs/dbraw/zinc/59/21/48/793592148.db2.gz NQJYNLQYOFOEFR-NEPJUHHUSA-N 1 2 360.436 -1.108 20 0 FAADLO CN(CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@@H]1O)S(C)(=O)=O ZINC001219734991 793592019 /nfs/dbraw/zinc/59/20/19/793592019.db2.gz OCHWDCYPCHULNK-MNOVXSKESA-N 1 2 364.468 -2.046 20 0 FAADLO CN(CC(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@@H]1O)S(C)(=O)=O ZINC001219734991 793592010 /nfs/dbraw/zinc/59/20/10/793592010.db2.gz OCHWDCYPCHULNK-MNOVXSKESA-N 1 2 364.468 -2.046 20 0 FAADLO 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CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@@H]1O ZINC001219755712 793603734 /nfs/dbraw/zinc/60/37/34/793603734.db2.gz IIRODLQTQPNPPS-TUAOUCFPSA-N 1 2 357.411 -2.676 20 0 FAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@@H]1O ZINC001219755712 793603726 /nfs/dbraw/zinc/60/37/26/793603726.db2.gz IIRODLQTQPNPPS-TUAOUCFPSA-N 1 2 357.411 -2.676 20 0 FAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCO[C@H](C)C2)C[C@@H]1O ZINC001219755713 793603828 /nfs/dbraw/zinc/60/38/28/793603828.db2.gz IIRODLQTQPNPPS-UTUOFQBUSA-N 1 2 357.411 -2.676 20 0 FAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCO[C@H](C)C2)C[C@@H]1O ZINC001219755713 793603823 /nfs/dbraw/zinc/60/38/23/793603823.db2.gz IIRODLQTQPNPPS-UTUOFQBUSA-N 1 2 357.411 -2.676 20 0 FAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@@H]1O ZINC001219755730 793604133 /nfs/dbraw/zinc/60/41/33/793604133.db2.gz JJSGICSFDNIREN-UTUOFQBUSA-N 1 2 355.439 -1.524 20 0 FAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@@H]1O ZINC001219755730 793604128 /nfs/dbraw/zinc/60/41/28/793604128.db2.gz JJSGICSFDNIREN-UTUOFQBUSA-N 1 2 355.439 -1.524 20 0 FAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@@H]1O ZINC001219755731 793603588 /nfs/dbraw/zinc/60/35/88/793603588.db2.gz JJSGICSFDNIREN-WOPDTQHZSA-N 1 2 355.439 -1.524 20 0 FAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@@H]1O ZINC001219755731 793603575 /nfs/dbraw/zinc/60/35/75/793603575.db2.gz JJSGICSFDNIREN-WOPDTQHZSA-N 1 2 355.439 -1.524 20 0 FAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1O ZINC001219755743 793604098 /nfs/dbraw/zinc/60/40/98/793604098.db2.gz JWGXSUDKWZSFMJ-TUAOUCFPSA-N 1 2 362.452 -2.099 20 0 FAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1O ZINC001219755743 793604091 /nfs/dbraw/zinc/60/40/91/793604091.db2.gz JWGXSUDKWZSFMJ-TUAOUCFPSA-N 1 2 362.452 -2.099 20 0 FAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@@H]1O ZINC001219755744 793603698 /nfs/dbraw/zinc/60/36/98/793603698.db2.gz JWGXSUDKWZSFMJ-UTUOFQBUSA-N 1 2 362.452 -2.099 20 0 FAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@@H]1O ZINC001219755744 793603693 /nfs/dbraw/zinc/60/36/93/793603693.db2.gz JWGXSUDKWZSFMJ-UTUOFQBUSA-N 1 2 362.452 -2.099 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](NC(=O)c2cc3n(n2)CCC3)[C@@H](O)C1)S(C)(=O)=O ZINC001219758221 793604069 /nfs/dbraw/zinc/60/40/69/793604069.db2.gz KBIPVDGZQQRUTM-KGLIPLIRSA-N 1 2 371.463 -1.504 20 0 FAADLO CN(CC[N@H+]1C[C@@H](NC(=O)c2cc3n(n2)CCC3)[C@@H](O)C1)S(C)(=O)=O ZINC001219758221 793604063 /nfs/dbraw/zinc/60/40/63/793604063.db2.gz KBIPVDGZQQRUTM-KGLIPLIRSA-N 1 2 371.463 -1.504 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](NC(=O)c2cnn3c2CCC3)[C@@H](O)C1)S(C)(=O)=O ZINC001219763508 793605206 /nfs/dbraw/zinc/60/52/06/793605206.db2.gz SUUWYBMBJYUVKY-OCCSQVGLSA-N 1 2 371.463 -1.504 20 0 FAADLO CN(CC[N@H+]1C[C@@H](NC(=O)c2cnn3c2CCC3)[C@@H](O)C1)S(C)(=O)=O ZINC001219763508 793605201 /nfs/dbraw/zinc/60/52/01/793605201.db2.gz SUUWYBMBJYUVKY-OCCSQVGLSA-N 1 2 371.463 -1.504 20 0 FAADLO COCC1(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]2O)CCOCC1 ZINC001219765245 793605331 /nfs/dbraw/zinc/60/53/31/793605331.db2.gz CCAJQYXHLWWCRR-MCIONIFRSA-N 1 2 355.435 -1.131 20 0 FAADLO COCC1(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2O)CCOCC1 ZINC001219765245 793605324 /nfs/dbraw/zinc/60/53/24/793605324.db2.gz CCAJQYXHLWWCRR-MCIONIFRSA-N 1 2 355.435 -1.131 20 0 FAADLO COCC1(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]2O)CCOCC1 ZINC001219765246 793604851 /nfs/dbraw/zinc/60/48/51/793604851.db2.gz CCAJQYXHLWWCRR-RDBSUJKOSA-N 1 2 355.435 -1.131 20 0 FAADLO COCC1(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2O)CCOCC1 ZINC001219765246 793604846 /nfs/dbraw/zinc/60/48/46/793604846.db2.gz CCAJQYXHLWWCRR-RDBSUJKOSA-N 1 2 355.435 -1.131 20 0 FAADLO COCC1(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)CCOCC1 ZINC001219765436 793605063 /nfs/dbraw/zinc/60/50/63/793605063.db2.gz JHCFDWRNBPOOGN-KGLIPLIRSA-N 1 2 355.435 -1.177 20 0 FAADLO COCC1(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2O)CCOCC1 ZINC001219765436 793605056 /nfs/dbraw/zinc/60/50/56/793605056.db2.gz JHCFDWRNBPOOGN-KGLIPLIRSA-N 1 2 355.435 -1.177 20 0 FAADLO COCC1(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2O)CCOCC1 ZINC001219765647 793604860 /nfs/dbraw/zinc/60/48/60/793604860.db2.gz UOKNXMRYDDIOAV-MCIONIFRSA-N 1 2 355.435 -1.178 20 0 FAADLO COCC1(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2O)CCOCC1 ZINC001219765647 793604859 /nfs/dbraw/zinc/60/48/59/793604859.db2.gz UOKNXMRYDDIOAV-MCIONIFRSA-N 1 2 355.435 -1.178 20 0 FAADLO COCC1(C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@@H]2O)CCOCC1 ZINC001219765648 793604812 /nfs/dbraw/zinc/60/48/12/793604812.db2.gz UOKNXMRYDDIOAV-RDBSUJKOSA-N 1 2 355.435 -1.178 20 0 FAADLO COCC1(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@@H]2O)CCOCC1 ZINC001219765648 793604806 /nfs/dbraw/zinc/60/48/06/793604806.db2.gz UOKNXMRYDDIOAV-RDBSUJKOSA-N 1 2 355.435 -1.178 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](NC(=O)C2(F)CCOCC2)[C@@H](O)C1)S(C)(=O)=O ZINC001219767067 793604779 /nfs/dbraw/zinc/60/47/79/793604779.db2.gz HSEGXHVQMBFMBH-NEPJUHHUSA-N 1 2 367.443 -1.442 20 0 FAADLO CN(CC[N@H+]1C[C@@H](NC(=O)C2(F)CCOCC2)[C@@H](O)C1)S(C)(=O)=O ZINC001219767067 793604773 /nfs/dbraw/zinc/60/47/73/793604773.db2.gz HSEGXHVQMBFMBH-NEPJUHHUSA-N 1 2 367.443 -1.442 20 0 FAADLO Cc1c(CC(=O)N[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@@H]2O)cnn1C ZINC001219768425 793606297 /nfs/dbraw/zinc/60/62/97/793606297.db2.gz HINQYIJNLACCBF-OLZOCXBDSA-N 1 2 359.452 -2.018 20 0 FAADLO Cc1c(CC(=O)N[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@@H]2O)cnn1C ZINC001219768425 793606292 /nfs/dbraw/zinc/60/62/92/793606292.db2.gz HINQYIJNLACCBF-OLZOCXBDSA-N 1 2 359.452 -2.018 20 0 FAADLO Cc1c(CC(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H]2O)cnn1C ZINC001219770133 793606034 /nfs/dbraw/zinc/60/60/34/793606034.db2.gz IDBNFYSUONSKGG-JLLWLGSASA-N 1 2 352.395 -1.984 20 0 FAADLO Cc1c(CC(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H]2O)cnn1C ZINC001219770133 793606031 /nfs/dbraw/zinc/60/60/31/793606031.db2.gz IDBNFYSUONSKGG-JLLWLGSASA-N 1 2 352.395 -1.984 20 0 FAADLO Cc1c(CC(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]2O)cnn1C ZINC001219770134 793606012 /nfs/dbraw/zinc/60/60/12/793606012.db2.gz IDBNFYSUONSKGG-WCQGTBRESA-N 1 2 352.395 -1.984 20 0 FAADLO Cc1c(CC(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]2O)cnn1C ZINC001219770134 793606006 /nfs/dbraw/zinc/60/60/06/793606006.db2.gz IDBNFYSUONSKGG-WCQGTBRESA-N 1 2 352.395 -1.984 20 0 FAADLO COCCC1(C(=O)N[C@@H]2C[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]2O)CC1 ZINC001219772424 793605948 /nfs/dbraw/zinc/60/59/48/793605948.db2.gz IXYVJTNTKWKQCY-OLZOCXBDSA-N 1 2 363.480 -1.144 20 0 FAADLO COCCC1(C(=O)N[C@@H]2C[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]2O)CC1 ZINC001219772424 793605946 /nfs/dbraw/zinc/60/59/46/793605946.db2.gz IXYVJTNTKWKQCY-OLZOCXBDSA-N 1 2 363.480 -1.144 20 0 FAADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CN(CC(=O)Nc2nncs2)C[C@@H]1O ZINC001219774550 793606429 /nfs/dbraw/zinc/60/64/29/793606429.db2.gz RZCDAZMFZMORSI-MNOVXSKESA-N 1 2 365.419 -1.006 20 0 FAADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CN(CC(=O)Nc2nncs2)C[C@@H]1O ZINC001219774550 793606425 /nfs/dbraw/zinc/60/64/25/793606425.db2.gz RZCDAZMFZMORSI-MNOVXSKESA-N 1 2 365.419 -1.006 20 0 FAADLO CN(C(=O)C[N@@H+]1C[C@@H](NC(=O)CCCn2ccnn2)[C@@H](O)C1)C1CC1 ZINC001219788600 793606951 /nfs/dbraw/zinc/60/69/51/793606951.db2.gz DRPZRTGBALCSQF-KGLIPLIRSA-N 1 2 350.423 -1.160 20 0 FAADLO CN(C(=O)C[N@H+]1C[C@@H](NC(=O)CCCn2ccnn2)[C@@H](O)C1)C1CC1 ZINC001219788600 793606947 /nfs/dbraw/zinc/60/69/47/793606947.db2.gz DRPZRTGBALCSQF-KGLIPLIRSA-N 1 2 350.423 -1.160 20 0 FAADLO O=C(CCCn1ccnn1)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001219788732 793606994 /nfs/dbraw/zinc/60/69/94/793606994.db2.gz GSQAGQAZDLHPOW-KGLIPLIRSA-N 1 2 350.423 -1.158 20 0 FAADLO O=C(CCCn1ccnn1)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001219788732 793606989 /nfs/dbraw/zinc/60/69/89/793606989.db2.gz GSQAGQAZDLHPOW-KGLIPLIRSA-N 1 2 350.423 -1.158 20 0 FAADLO CS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(=O)CCCn2ccnn2)[C@@H](O)C1 ZINC001219788792 793607406 /nfs/dbraw/zinc/60/74/06/793607406.db2.gz IOCTXDATQVQMFL-NEPJUHHUSA-N 1 2 360.440 -2.231 20 0 FAADLO CS(=O)(=O)NCC[N@H+]1C[C@@H](NC(=O)CCCn2ccnn2)[C@@H](O)C1 ZINC001219788792 793607395 /nfs/dbraw/zinc/60/73/95/793607395.db2.gz IOCTXDATQVQMFL-NEPJUHHUSA-N 1 2 360.440 -2.231 20 0 FAADLO O=C(CCCn1ccnn1)N[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001219788811 793606937 /nfs/dbraw/zinc/60/69/37/793606937.db2.gz ISZYKCGTAATPJQ-MCIONIFRSA-N 1 2 371.463 -1.346 20 0 FAADLO O=C(CCCn1ccnn1)N[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001219788811 793606934 /nfs/dbraw/zinc/60/69/34/793606934.db2.gz ISZYKCGTAATPJQ-MCIONIFRSA-N 1 2 371.463 -1.346 20 0 FAADLO O=C(CCCn1ccnn1)N[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001219788814 793607511 /nfs/dbraw/zinc/60/75/11/793607511.db2.gz ISZYKCGTAATPJQ-MJBXVCDLSA-N 1 2 371.463 -1.346 20 0 FAADLO O=C(CCCn1ccnn1)N[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001219788814 793607506 /nfs/dbraw/zinc/60/75/06/793607506.db2.gz ISZYKCGTAATPJQ-MJBXVCDLSA-N 1 2 371.463 -1.346 20 0 FAADLO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](NC(=O)CCCn2ccnn2)[C@@H](O)C1 ZINC001219788865 793606925 /nfs/dbraw/zinc/60/69/25/793606925.db2.gz KBODPLABNXDGNJ-BNOWGMLFSA-N 1 2 350.423 -1.113 20 0 FAADLO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](NC(=O)CCCn2ccnn2)[C@@H](O)C1 ZINC001219788865 793606919 /nfs/dbraw/zinc/60/69/19/793606919.db2.gz KBODPLABNXDGNJ-BNOWGMLFSA-N 1 2 350.423 -1.113 20 0 FAADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](NC(=O)CCCn2ccnn2)[C@@H](O)C1 ZINC001219788866 793606800 /nfs/dbraw/zinc/60/68/00/793606800.db2.gz KBODPLABNXDGNJ-YUTCNCBUSA-N 1 2 350.423 -1.113 20 0 FAADLO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](NC(=O)CCCn2ccnn2)[C@@H](O)C1 ZINC001219788866 793606798 /nfs/dbraw/zinc/60/67/98/793606798.db2.gz KBODPLABNXDGNJ-YUTCNCBUSA-N 1 2 350.423 -1.113 20 0 FAADLO CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)CCCn3ccnn3)[C@@H](O)C2)C1=O ZINC001219789214 793607115 /nfs/dbraw/zinc/60/71/15/793607115.db2.gz PCVBNLRPLKYPQP-MCIONIFRSA-N 1 2 350.423 -1.160 20 0 FAADLO CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)CCCn3ccnn3)[C@@H](O)C2)C1=O ZINC001219789214 793607108 /nfs/dbraw/zinc/60/71/08/793607108.db2.gz PCVBNLRPLKYPQP-MCIONIFRSA-N 1 2 350.423 -1.160 20 0 FAADLO CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CCCn3ccnn3)[C@@H](O)C2)C1=O ZINC001219789215 793607387 /nfs/dbraw/zinc/60/73/87/793607387.db2.gz PCVBNLRPLKYPQP-RDBSUJKOSA-N 1 2 350.423 -1.160 20 0 FAADLO CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CCCn3ccnn3)[C@@H](O)C2)C1=O ZINC001219789215 793607382 /nfs/dbraw/zinc/60/73/82/793607382.db2.gz PCVBNLRPLKYPQP-RDBSUJKOSA-N 1 2 350.423 -1.160 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](NC(=O)CCCn2ccnn2)[C@@H](O)C1 ZINC001219789557 793607337 /nfs/dbraw/zinc/60/73/37/793607337.db2.gz VGPZKBLNYRSHIN-AXFHLTTASA-N 1 2 353.383 -2.197 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](NC(=O)CCCn2ccnn2)[C@@H](O)C1 ZINC001219789557 793607331 /nfs/dbraw/zinc/60/73/31/793607331.db2.gz VGPZKBLNYRSHIN-AXFHLTTASA-N 1 2 353.383 -2.197 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](NC(=O)CCCn2ccnn2)[C@@H](O)C1 ZINC001219789558 793607031 /nfs/dbraw/zinc/60/70/31/793607031.db2.gz VGPZKBLNYRSHIN-MXWKQRLJSA-N 1 2 353.383 -2.197 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](NC(=O)CCCn2ccnn2)[C@@H](O)C1 ZINC001219789558 793607025 /nfs/dbraw/zinc/60/70/25/793607025.db2.gz VGPZKBLNYRSHIN-MXWKQRLJSA-N 1 2 353.383 -2.197 20 0 FAADLO CC(C)(C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC(=O)NC2)[C@@H](O)C1 ZINC001219790186 793607290 /nfs/dbraw/zinc/60/72/90/793607290.db2.gz CXCDEQWKHSPQLX-UPJWGTAASA-N 1 2 354.451 -1.021 20 0 FAADLO CC(C)(C)NC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC(=O)NC2)[C@@H](O)C1 ZINC001219790186 793607285 /nfs/dbraw/zinc/60/72/85/793607285.db2.gz CXCDEQWKHSPQLX-UPJWGTAASA-N 1 2 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CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@@H]1O ZINC001219847141 793618738 /nfs/dbraw/zinc/61/87/38/793618738.db2.gz WLXCGKRPCAUOPB-AGIUHOORSA-N 1 2 352.435 -1.187 20 0 FAADLO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@@H]1O ZINC001219847141 793618728 /nfs/dbraw/zinc/61/87/28/793618728.db2.gz WLXCGKRPCAUOPB-AGIUHOORSA-N 1 2 352.435 -1.187 20 0 FAADLO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@@H]1O ZINC001219847142 793619183 /nfs/dbraw/zinc/61/91/83/793619183.db2.gz WLXCGKRPCAUOPB-UPJWGTAASA-N 1 2 352.435 -1.187 20 0 FAADLO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@@H]1O ZINC001219847142 793619180 /nfs/dbraw/zinc/61/91/80/793619180.db2.gz WLXCGKRPCAUOPB-UPJWGTAASA-N 1 2 352.435 -1.187 20 0 FAADLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001219848125 793619123 /nfs/dbraw/zinc/61/91/23/793619123.db2.gz HASPSIRWUOWQBN-ZJUUUORDSA-N 1 2 361.424 -1.910 20 0 FAADLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001219848125 793619119 /nfs/dbraw/zinc/61/91/19/793619119.db2.gz HASPSIRWUOWQBN-ZJUUUORDSA-N 1 2 361.424 -1.910 20 0 FAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC001219848520 793619855 /nfs/dbraw/zinc/61/98/55/793619855.db2.gz OUTXAHHUTIWVHT-QNSHHTMESA-N 1 2 352.351 -2.199 20 0 FAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC001219848520 793619852 /nfs/dbraw/zinc/61/98/52/793619852.db2.gz OUTXAHHUTIWVHT-QNSHHTMESA-N 1 2 352.351 -2.199 20 0 FAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC001219848522 793619735 /nfs/dbraw/zinc/61/97/35/793619735.db2.gz OUTXAHHUTIWVHT-SFGNSQDASA-N 1 2 352.351 -2.199 20 0 FAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC001219848522 793619729 /nfs/dbraw/zinc/61/97/29/793619729.db2.gz OUTXAHHUTIWVHT-SFGNSQDASA-N 1 2 352.351 -2.199 20 0 FAADLO CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCNC2=O)[C@@H](O)C1 ZINC001219848992 793619533 /nfs/dbraw/zinc/61/95/33/793619533.db2.gz ZKXIMXIXCBKSEQ-UPJWGTAASA-N 1 2 354.451 -1.021 20 0 FAADLO CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCNC2=O)[C@@H](O)C1 ZINC001219848992 793619525 /nfs/dbraw/zinc/61/95/25/793619525.db2.gz ZKXIMXIXCBKSEQ-UPJWGTAASA-N 1 2 354.451 -1.021 20 0 FAADLO CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCNC2=O)[C@@H](O)C1 ZINC001219848993 793620122 /nfs/dbraw/zinc/62/01/22/793620122.db2.gz ZKXIMXIXCBKSEQ-XQQFMLRXSA-N 1 2 354.451 -1.021 20 0 FAADLO CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCNC2=O)[C@@H](O)C1 ZINC001219848993 793620117 /nfs/dbraw/zinc/62/01/17/793620117.db2.gz ZKXIMXIXCBKSEQ-XQQFMLRXSA-N 1 2 354.451 -1.021 20 0 FAADLO CCS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(=O)c2[nH]c(=O)[nH]c2C)[C@@H](O)C1 ZINC001219849491 793620034 /nfs/dbraw/zinc/62/00/34/793620034.db2.gz KTMGSMJCCOXZHU-ZJUUUORDSA-N 1 2 361.424 -1.862 20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1C[C@@H](NC(=O)c2[nH]c(=O)[nH]c2C)[C@@H](O)C1 ZINC001219849491 793620028 /nfs/dbraw/zinc/62/00/28/793620028.db2.gz KTMGSMJCCOXZHU-ZJUUUORDSA-N 1 2 361.424 -1.862 20 0 FAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2[nH]c(=O)[nH]c2C)[C@@H](O)C1 ZINC001219849587 793620006 /nfs/dbraw/zinc/62/00/06/793620006.db2.gz LWDDJXVUOWDEKV-HLTSFMKQSA-N 1 2 354.367 -1.957 20 0 FAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2[nH]c(=O)[nH]c2C)[C@@H](O)C1 ZINC001219849587 793619999 /nfs/dbraw/zinc/61/99/99/793619999.db2.gz LWDDJXVUOWDEKV-HLTSFMKQSA-N 1 2 354.367 -1.957 20 0 FAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2[nH]c(=O)[nH]c2C)[C@@H](O)C1 ZINC001219849588 793620230 /nfs/dbraw/zinc/62/02/30/793620230.db2.gz LWDDJXVUOWDEKV-YIZRAAEISA-N 1 2 354.367 -1.957 20 0 FAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2[nH]c(=O)[nH]c2C)[C@@H](O)C1 ZINC001219849588 793620227 /nfs/dbraw/zinc/62/02/27/793620227.db2.gz LWDDJXVUOWDEKV-YIZRAAEISA-N 1 2 354.367 -1.957 20 0 FAADLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[N@@H+](C[C@H](C)CS(C)(=O)=O)C[C@@H]1O ZINC001219849925 793619806 /nfs/dbraw/zinc/61/98/06/793619806.db2.gz WGEUWHFUPMJHEA-GDPRMGEGSA-N 1 2 360.436 -1.121 20 0 FAADLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[N@H+](C[C@H](C)CS(C)(=O)=O)C[C@@H]1O ZINC001219849925 793619796 /nfs/dbraw/zinc/61/97/96/793619796.db2.gz WGEUWHFUPMJHEA-GDPRMGEGSA-N 1 2 360.436 -1.121 20 0 FAADLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[N@@H+](C[C@@H](C)CS(C)(=O)=O)C[C@@H]1O ZINC001219849928 793619647 /nfs/dbraw/zinc/61/96/47/793619647.db2.gz WGEUWHFUPMJHEA-IEBDPFPHSA-N 1 2 360.436 -1.121 20 0 FAADLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[N@H+](C[C@@H](C)CS(C)(=O)=O)C[C@@H]1O ZINC001219849928 793619642 /nfs/dbraw/zinc/61/96/42/793619642.db2.gz WGEUWHFUPMJHEA-IEBDPFPHSA-N 1 2 360.436 -1.121 20 0 FAADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCN(C)C2=O)[C@@H](O)C1 ZINC001219851142 793619938 /nfs/dbraw/zinc/61/99/38/793619938.db2.gz CCVZVOGIPAHKSR-MCIONIFRSA-N 1 2 354.451 -1.117 20 0 FAADLO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CCN(C)C2=O)[C@@H](O)C1 ZINC001219851142 793619931 /nfs/dbraw/zinc/61/99/31/793619931.db2.gz CCVZVOGIPAHKSR-MCIONIFRSA-N 1 2 354.451 -1.117 20 0 FAADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCN(C)C2=O)[C@@H](O)C1 ZINC001219851143 793620059 /nfs/dbraw/zinc/62/00/59/793620059.db2.gz CCVZVOGIPAHKSR-MJBXVCDLSA-N 1 2 354.451 -1.117 20 0 FAADLO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCN(C)C2=O)[C@@H](O)C1 ZINC001219851143 793620049 /nfs/dbraw/zinc/62/00/49/793620049.db2.gz CCVZVOGIPAHKSR-MJBXVCDLSA-N 1 2 354.451 -1.117 20 0 FAADLO CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC(=O)N2)[C@@H](O)C1 ZINC001219851331 793619482 /nfs/dbraw/zinc/61/94/82/793619482.db2.gz LQJHQCDOFQCFBK-MCIONIFRSA-N 1 2 352.435 -1.315 20 0 FAADLO CN(CC1CC1)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC(=O)N2)[C@@H](O)C1 ZINC001219851331 793619475 /nfs/dbraw/zinc/61/94/75/793619475.db2.gz LQJHQCDOFQCFBK-MCIONIFRSA-N 1 2 352.435 -1.315 20 0 FAADLO CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCN(C)C2=O)[C@@H](O)C1 ZINC001219851348 793620198 /nfs/dbraw/zinc/62/01/98/793620198.db2.gz MGQKHJDGRQTFJT-MCIONIFRSA-N 1 2 354.451 -1.116 20 0 FAADLO CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CCN(C)C2=O)[C@@H](O)C1 ZINC001219851348 793620194 /nfs/dbraw/zinc/62/01/94/793620194.db2.gz MGQKHJDGRQTFJT-MCIONIFRSA-N 1 2 354.451 -1.116 20 0 FAADLO CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCN(C)C2=O)[C@@H](O)C1 ZINC001219851349 793619766 /nfs/dbraw/zinc/61/97/66/793619766.db2.gz MGQKHJDGRQTFJT-MJBXVCDLSA-N 1 2 354.451 -1.116 20 0 FAADLO CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCN(C)C2=O)[C@@H](O)C1 ZINC001219851349 793619760 /nfs/dbraw/zinc/61/97/60/793619760.db2.gz MGQKHJDGRQTFJT-MJBXVCDLSA-N 1 2 354.451 -1.116 20 0 FAADLO CN1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@@H]2O)C1=O ZINC001219851499 793620608 /nfs/dbraw/zinc/62/06/08/793620608.db2.gz SERGXOHWNKIMAS-TUAOUCFPSA-N 1 2 362.452 -2.435 20 0 FAADLO CN1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@@H]2O)C1=O ZINC001219851499 793620604 /nfs/dbraw/zinc/62/06/04/793620604.db2.gz SERGXOHWNKIMAS-TUAOUCFPSA-N 1 2 362.452 -2.435 20 0 FAADLO CN1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@@H]2O)C1=O ZINC001219851500 793620694 /nfs/dbraw/zinc/62/06/94/793620694.db2.gz SERGXOHWNKIMAS-UTUOFQBUSA-N 1 2 362.452 -2.435 20 0 FAADLO CN1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@@H]2O)C1=O ZINC001219851500 793620689 /nfs/dbraw/zinc/62/06/89/793620689.db2.gz SERGXOHWNKIMAS-UTUOFQBUSA-N 1 2 362.452 -2.435 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC(=O)N2)[C@@H](O)C1)S(C)(=O)=O ZINC001219851610 793620789 /nfs/dbraw/zinc/62/07/89/793620789.db2.gz XNPRMELACWAXGL-UTUOFQBUSA-N 1 2 362.452 -2.292 20 0 FAADLO CN(CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC(=O)N2)[C@@H](O)C1)S(C)(=O)=O ZINC001219851610 793620782 /nfs/dbraw/zinc/62/07/82/793620782.db2.gz XNPRMELACWAXGL-UTUOFQBUSA-N 1 2 362.452 -2.292 20 0 FAADLO Cn1ccnc1COCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001219853075 793620833 /nfs/dbraw/zinc/62/08/33/793620833.db2.gz DXYFRCISTZUIJM-OLZOCXBDSA-N 1 2 351.407 -1.670 20 0 FAADLO Cn1ccnc1COCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001219853075 793620825 /nfs/dbraw/zinc/62/08/25/793620825.db2.gz DXYFRCISTZUIJM-OLZOCXBDSA-N 1 2 351.407 -1.670 20 0 FAADLO CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC(=O)N2)[C@@H](O)C1)C1CC1 ZINC001219853279 793620895 /nfs/dbraw/zinc/62/08/95/793620895.db2.gz NMSDQJOEHARGMS-MCIONIFRSA-N 1 2 352.435 -1.173 20 0 FAADLO CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC(=O)N2)[C@@H](O)C1)C1CC1 ZINC001219853279 793620889 /nfs/dbraw/zinc/62/08/89/793620889.db2.gz NMSDQJOEHARGMS-MCIONIFRSA-N 1 2 352.435 -1.173 20 0 FAADLO CC(C)NC(=O)NCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC(=O)N2)[C@@H](O)C1 ZINC001219853369 793621122 /nfs/dbraw/zinc/62/11/22/793621122.db2.gz RJDNZIMFRFKZRB-UPJWGTAASA-N 1 2 355.439 -1.476 20 0 FAADLO CC(C)NC(=O)NCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC(=O)N2)[C@@H](O)C1 ZINC001219853369 793621120 /nfs/dbraw/zinc/62/11/20/793621120.db2.gz RJDNZIMFRFKZRB-UPJWGTAASA-N 1 2 355.439 -1.476 20 0 FAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)COCc2nccn2C)[C@@H](O)C1 ZINC001219853410 793620807 /nfs/dbraw/zinc/62/08/07/793620807.db2.gz TWPIXDRVDNSHQY-OLZOCXBDSA-N 1 2 353.423 -1.424 20 0 FAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)COCc2nccn2C)[C@@H](O)C1 ZINC001219853410 793620800 /nfs/dbraw/zinc/62/08/00/793620800.db2.gz TWPIXDRVDNSHQY-OLZOCXBDSA-N 1 2 353.423 -1.424 20 0 FAADLO CC(C)NC(=O)NCC[N@@H+]1C[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC001219855050 793620726 /nfs/dbraw/zinc/62/07/26/793620726.db2.gz JPNUKPASBDRHJU-NEPJUHHUSA-N 1 2 352.395 -1.335 20 0 FAADLO CC(C)NC(=O)NCC[N@H+]1C[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC001219855050 793620720 /nfs/dbraw/zinc/62/07/20/793620720.db2.gz JPNUKPASBDRHJU-NEPJUHHUSA-N 1 2 352.395 -1.335 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1)S(C)(=O)=O ZINC001219855333 793621938 /nfs/dbraw/zinc/62/19/38/793621938.db2.gz XKPGHNFMIAPSJW-MNOVXSKESA-N 1 2 359.408 -2.152 20 0 FAADLO CN(CC[N@H+]1C[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1)S(C)(=O)=O ZINC001219855333 793621931 /nfs/dbraw/zinc/62/19/31/793621931.db2.gz XKPGHNFMIAPSJW-MNOVXSKESA-N 1 2 359.408 -2.152 20 0 FAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC001219856806 793621813 /nfs/dbraw/zinc/62/18/13/793621813.db2.gz CUKNRHBBKJQISW-QNSHHTMESA-N 1 2 352.351 -2.199 20 0 FAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC001219856806 793621808 /nfs/dbraw/zinc/62/18/08/793621808.db2.gz CUKNRHBBKJQISW-QNSHHTMESA-N 1 2 352.351 -2.199 20 0 FAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC001219856807 793621735 /nfs/dbraw/zinc/62/17/35/793621735.db2.gz CUKNRHBBKJQISW-SFGNSQDASA-N 1 2 352.351 -2.199 20 0 FAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC001219856807 793621730 /nfs/dbraw/zinc/62/17/30/793621730.db2.gz CUKNRHBBKJQISW-SFGNSQDASA-N 1 2 352.351 -2.199 20 0 FAADLO Cn1ccnc1COCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001219856813 793621707 /nfs/dbraw/zinc/62/17/07/793621707.db2.gz DKKCOHHOEGNPBT-AGIUHOORSA-N 1 2 351.407 -1.623 20 0 FAADLO Cn1ccnc1COCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001219856813 793621704 /nfs/dbraw/zinc/62/17/04/793621704.db2.gz DKKCOHHOEGNPBT-AGIUHOORSA-N 1 2 351.407 -1.623 20 0 FAADLO Cn1ccnc1COCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001219856814 793621570 /nfs/dbraw/zinc/62/15/70/793621570.db2.gz DKKCOHHOEGNPBT-UPJWGTAASA-N 1 2 351.407 -1.623 20 0 FAADLO Cn1ccnc1COCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001219856814 793621567 /nfs/dbraw/zinc/62/15/67/793621567.db2.gz DKKCOHHOEGNPBT-UPJWGTAASA-N 1 2 351.407 -1.623 20 0 FAADLO CN1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@@H]2O)C1=O ZINC001219856838 793621587 /nfs/dbraw/zinc/62/15/87/793621587.db2.gz FZJUPIKBXXLMAM-UPJWGTAASA-N 1 2 354.451 -1.069 20 0 FAADLO CN1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@@H]2O)C1=O ZINC001219856838 793621585 /nfs/dbraw/zinc/62/15/85/793621585.db2.gz FZJUPIKBXXLMAM-UPJWGTAASA-N 1 2 354.451 -1.069 20 0 FAADLO CN1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@@H]2O)C1=O ZINC001219856839 793621578 /nfs/dbraw/zinc/62/15/78/793621578.db2.gz FZJUPIKBXXLMAM-XQQFMLRXSA-N 1 2 354.451 -1.069 20 0 FAADLO CN1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@@H]2O)C1=O ZINC001219856839 793621576 /nfs/dbraw/zinc/62/15/76/793621576.db2.gz FZJUPIKBXXLMAM-XQQFMLRXSA-N 1 2 354.451 -1.069 20 0 FAADLO Cn1ccnc1COCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001219856893 793621721 /nfs/dbraw/zinc/62/17/21/793621721.db2.gz JWTPLUZGUXXTCO-AGIUHOORSA-N 1 2 351.407 -1.671 20 0 FAADLO Cn1ccnc1COCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001219856893 793621717 /nfs/dbraw/zinc/62/17/17/793621717.db2.gz JWTPLUZGUXXTCO-AGIUHOORSA-N 1 2 351.407 -1.671 20 0 FAADLO Cn1ccnc1COCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001219856894 793621556 /nfs/dbraw/zinc/62/15/56/793621556.db2.gz JWTPLUZGUXXTCO-UPJWGTAASA-N 1 2 351.407 -1.671 20 0 FAADLO Cn1ccnc1COCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001219856894 793621552 /nfs/dbraw/zinc/62/15/52/793621552.db2.gz JWTPLUZGUXXTCO-UPJWGTAASA-N 1 2 351.407 -1.671 20 0 FAADLO CCS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC001219856910 793621978 /nfs/dbraw/zinc/62/19/78/793621978.db2.gz LEBJIJFLDHTRJY-MNOVXSKESA-N 1 2 359.408 -2.104 20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1C[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC001219856910 793621974 /nfs/dbraw/zinc/62/19/74/793621974.db2.gz LEBJIJFLDHTRJY-MNOVXSKESA-N 1 2 359.408 -2.104 20 0 FAADLO C[C@H](C[N@@H+]1C[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1)CS(C)(=O)=O ZINC001219856942 793621618 /nfs/dbraw/zinc/62/16/18/793621618.db2.gz MZIDHIGLKKYFJT-JLLWLGSASA-N 1 2 358.420 -1.362 20 0 FAADLO C[C@H](C[N@H+]1C[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1)CS(C)(=O)=O ZINC001219856942 793621616 /nfs/dbraw/zinc/62/16/16/793621616.db2.gz MZIDHIGLKKYFJT-JLLWLGSASA-N 1 2 358.420 -1.362 20 0 FAADLO C[C@@H](C[N@@H+]1C[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1)CS(C)(=O)=O ZINC001219856943 793621998 /nfs/dbraw/zinc/62/19/98/793621998.db2.gz MZIDHIGLKKYFJT-WCQGTBRESA-N 1 2 358.420 -1.362 20 0 FAADLO C[C@@H](C[N@H+]1C[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1)CS(C)(=O)=O ZINC001219856943 793621996 /nfs/dbraw/zinc/62/19/96/793621996.db2.gz MZIDHIGLKKYFJT-WCQGTBRESA-N 1 2 358.420 -1.362 20 0 FAADLO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)COCc2nccn2C)[C@@H](O)C1 ZINC001219857049 793621763 /nfs/dbraw/zinc/62/17/63/793621763.db2.gz VAXNWENXTBLQCR-UPJWGTAASA-N 1 2 353.423 -1.425 20 0 FAADLO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)COCc2nccn2C)[C@@H](O)C1 ZINC001219857049 793621760 /nfs/dbraw/zinc/62/17/60/793621760.db2.gz VAXNWENXTBLQCR-UPJWGTAASA-N 1 2 353.423 -1.425 20 0 FAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)COCc2nccn2C)[C@@H](O)C1 ZINC001219857050 793621696 /nfs/dbraw/zinc/62/16/96/793621696.db2.gz VAXNWENXTBLQCR-XQQFMLRXSA-N 1 2 353.423 -1.425 20 0 FAADLO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)COCc2nccn2C)[C@@H](O)C1 ZINC001219857050 793621693 /nfs/dbraw/zinc/62/16/93/793621693.db2.gz VAXNWENXTBLQCR-XQQFMLRXSA-N 1 2 353.423 -1.425 20 0 FAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)c2nc(C)c(C)[nH]c2=O)[C@@H](O)C1 ZINC001219860450 793622853 /nfs/dbraw/zinc/62/28/53/793622853.db2.gz HXPJTHKUFFDIGX-NEPJUHHUSA-N 1 2 351.407 -1.360 20 0 FAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)c2nc(C)c(C)[nH]c2=O)[C@@H](O)C1 ZINC001219860450 793622849 /nfs/dbraw/zinc/62/28/49/793622849.db2.gz HXPJTHKUFFDIGX-NEPJUHHUSA-N 1 2 351.407 -1.360 20 0 FAADLO Cc1cc(COCC(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)no1 ZINC001219862898 793622793 /nfs/dbraw/zinc/62/27/93/793622793.db2.gz UMJCVJPISCLEAN-KGLIPLIRSA-N 1 2 352.391 -1.107 20 0 FAADLO Cc1cc(COCC(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2O)no1 ZINC001219862898 793622789 /nfs/dbraw/zinc/62/27/89/793622789.db2.gz UMJCVJPISCLEAN-KGLIPLIRSA-N 1 2 352.391 -1.107 20 0 FAADLO Cc1cc(COCC(=O)N[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]2O)no1 ZINC001219863133 793622371 /nfs/dbraw/zinc/62/23/71/793622371.db2.gz YVCRWKHUBGBTPO-MCIONIFRSA-N 1 2 352.391 -1.060 20 0 FAADLO Cc1cc(COCC(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2O)no1 ZINC001219863133 793622366 /nfs/dbraw/zinc/62/23/66/793622366.db2.gz YVCRWKHUBGBTPO-MCIONIFRSA-N 1 2 352.391 -1.060 20 0 FAADLO Cc1cc(COCC(=O)N[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]2O)no1 ZINC001219863134 793622669 /nfs/dbraw/zinc/62/26/69/793622669.db2.gz YVCRWKHUBGBTPO-RDBSUJKOSA-N 1 2 352.391 -1.060 20 0 FAADLO Cc1cc(COCC(=O)N[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2O)no1 ZINC001219863134 793622663 /nfs/dbraw/zinc/62/26/63/793622663.db2.gz YVCRWKHUBGBTPO-RDBSUJKOSA-N 1 2 352.391 -1.060 20 0 FAADLO Cn1nccc1COCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001219863852 793622840 /nfs/dbraw/zinc/62/28/40/793622840.db2.gz BUFTTZVQWTXGDJ-MCIONIFRSA-N 1 2 351.407 -1.623 20 0 FAADLO Cn1nccc1COCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001219863852 793622835 /nfs/dbraw/zinc/62/28/35/793622835.db2.gz BUFTTZVQWTXGDJ-MCIONIFRSA-N 1 2 351.407 -1.623 20 0 FAADLO Cn1nccc1COCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001219863853 793622347 /nfs/dbraw/zinc/62/23/47/793622347.db2.gz BUFTTZVQWTXGDJ-RDBSUJKOSA-N 1 2 351.407 -1.623 20 0 FAADLO Cn1nccc1COCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001219863853 793622339 /nfs/dbraw/zinc/62/23/39/793622339.db2.gz BUFTTZVQWTXGDJ-RDBSUJKOSA-N 1 2 351.407 -1.623 20 0 FAADLO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)COCc2ccnn2C)[C@@H](O)C1 ZINC001219864040 793622822 /nfs/dbraw/zinc/62/28/22/793622822.db2.gz HISXGOGTQLLGFU-BNOWGMLFSA-N 1 2 353.423 -1.425 20 0 FAADLO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)COCc2ccnn2C)[C@@H](O)C1 ZINC001219864040 793622816 /nfs/dbraw/zinc/62/28/16/793622816.db2.gz HISXGOGTQLLGFU-BNOWGMLFSA-N 1 2 353.423 -1.425 20 0 FAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)COCc2ccnn2C)[C@@H](O)C1 ZINC001219864041 793622757 /nfs/dbraw/zinc/62/27/57/793622757.db2.gz HISXGOGTQLLGFU-YUTCNCBUSA-N 1 2 353.423 -1.425 20 0 FAADLO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)COCc2ccnn2C)[C@@H](O)C1 ZINC001219864041 793622752 /nfs/dbraw/zinc/62/27/52/793622752.db2.gz HISXGOGTQLLGFU-YUTCNCBUSA-N 1 2 353.423 -1.425 20 0 FAADLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]2O)c[nH+]1 ZINC001219864196 793622629 /nfs/dbraw/zinc/62/26/29/793622629.db2.gz JXWMNDRWTCVKEO-MNOVXSKESA-N 1 2 352.395 -1.717 20 0 FAADLO CN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)COCc3ccnn3C)[C@@H](O)C2)C1=O ZINC001219864409 793622724 /nfs/dbraw/zinc/62/27/24/793622724.db2.gz PLLZBGBUIAAEDG-MCIONIFRSA-N 1 2 351.407 -1.671 20 0 FAADLO CN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)COCc3ccnn3C)[C@@H](O)C2)C1=O ZINC001219864409 793622717 /nfs/dbraw/zinc/62/27/17/793622717.db2.gz PLLZBGBUIAAEDG-MCIONIFRSA-N 1 2 351.407 -1.671 20 0 FAADLO CN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)COCc3ccnn3C)[C@@H](O)C2)C1=O ZINC001219864411 793622286 /nfs/dbraw/zinc/62/22/86/793622286.db2.gz PLLZBGBUIAAEDG-RDBSUJKOSA-N 1 2 351.407 -1.671 20 0 FAADLO CN1CC[C@H]([N@H+]2C[C@@H](NC(=O)COCc3ccnn3C)[C@@H](O)C2)C1=O ZINC001219864411 793622280 /nfs/dbraw/zinc/62/22/80/793622280.db2.gz PLLZBGBUIAAEDG-RDBSUJKOSA-N 1 2 351.407 -1.671 20 0 FAADLO Cn1nccc1COCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001219865306 793622773 /nfs/dbraw/zinc/62/27/73/793622773.db2.gz AANARSWKFFVBJB-KGLIPLIRSA-N 1 2 351.407 -1.670 20 0 FAADLO Cn1nccc1COCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001219865306 793622770 /nfs/dbraw/zinc/62/27/70/793622770.db2.gz AANARSWKFFVBJB-KGLIPLIRSA-N 1 2 351.407 -1.670 20 0 FAADLO Cc1cc(COCC(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)on1 ZINC001219865414 793622581 /nfs/dbraw/zinc/62/25/81/793622581.db2.gz DGLQYAGDUOPEIG-KGLIPLIRSA-N 1 2 352.391 -1.107 20 0 FAADLO Cc1cc(COCC(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2O)on1 ZINC001219865414 793622576 /nfs/dbraw/zinc/62/25/76/793622576.db2.gz DGLQYAGDUOPEIG-KGLIPLIRSA-N 1 2 352.391 -1.107 20 0 FAADLO Cc1cc(COCC(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2O)no1 ZINC001219865563 793623292 /nfs/dbraw/zinc/62/32/92/793623292.db2.gz IGCBUSJQLKPNIX-MCIONIFRSA-N 1 2 352.391 -1.108 20 0 FAADLO Cc1cc(COCC(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2O)no1 ZINC001219865563 793623285 /nfs/dbraw/zinc/62/32/85/793623285.db2.gz IGCBUSJQLKPNIX-MCIONIFRSA-N 1 2 352.391 -1.108 20 0 FAADLO Cc1cc(COCC(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@@H]2O)no1 ZINC001219865565 793623716 /nfs/dbraw/zinc/62/37/16/793623716.db2.gz IGCBUSJQLKPNIX-RDBSUJKOSA-N 1 2 352.391 -1.108 20 0 FAADLO Cc1cc(COCC(=O)N[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@@H]2O)no1 ZINC001219865565 793623709 /nfs/dbraw/zinc/62/37/09/793623709.db2.gz IGCBUSJQLKPNIX-RDBSUJKOSA-N 1 2 352.391 -1.108 20 0 FAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)COCc2ccnn2C)[C@@H](O)C1 ZINC001219866124 793623256 /nfs/dbraw/zinc/62/32/56/793623256.db2.gz SCQSMXKBPOXKIO-KGLIPLIRSA-N 1 2 353.423 -1.424 20 0 FAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)COCc2ccnn2C)[C@@H](O)C1 ZINC001219866124 793623251 /nfs/dbraw/zinc/62/32/51/793623251.db2.gz SCQSMXKBPOXKIO-KGLIPLIRSA-N 1 2 353.423 -1.424 20 0 FAADLO Cc1cc(COCC(=O)N[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]2O)on1 ZINC001219866166 793623688 /nfs/dbraw/zinc/62/36/88/793623688.db2.gz VLVUSKKRMOWZMQ-MCIONIFRSA-N 1 2 352.391 -1.060 20 0 FAADLO Cc1cc(COCC(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2O)on1 ZINC001219866166 793623683 /nfs/dbraw/zinc/62/36/83/793623683.db2.gz VLVUSKKRMOWZMQ-MCIONIFRSA-N 1 2 352.391 -1.060 20 0 FAADLO Cc1cc(COCC(=O)N[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]2O)on1 ZINC001219866167 793623416 /nfs/dbraw/zinc/62/34/16/793623416.db2.gz VLVUSKKRMOWZMQ-RDBSUJKOSA-N 1 2 352.391 -1.060 20 0 FAADLO Cc1cc(COCC(=O)N[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2O)on1 ZINC001219866167 793623412 /nfs/dbraw/zinc/62/34/12/793623412.db2.gz VLVUSKKRMOWZMQ-RDBSUJKOSA-N 1 2 352.391 -1.060 20 0 FAADLO Cc1cc(COCC(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2O)on1 ZINC001219866213 793623670 /nfs/dbraw/zinc/62/36/70/793623670.db2.gz YEASWQUXXKXBCA-MCIONIFRSA-N 1 2 352.391 -1.108 20 0 FAADLO Cc1cc(COCC(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2O)on1 ZINC001219866213 793623665 /nfs/dbraw/zinc/62/36/65/793623665.db2.gz YEASWQUXXKXBCA-MCIONIFRSA-N 1 2 352.391 -1.108 20 0 FAADLO Cc1cc(COCC(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@@H]2O)on1 ZINC001219866215 793623762 /nfs/dbraw/zinc/62/37/62/793623762.db2.gz YEASWQUXXKXBCA-RDBSUJKOSA-N 1 2 352.391 -1.108 20 0 FAADLO Cc1cc(COCC(=O)N[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@@H]2O)on1 ZINC001219866215 793623759 /nfs/dbraw/zinc/62/37/59/793623759.db2.gz YEASWQUXXKXBCA-RDBSUJKOSA-N 1 2 352.391 -1.108 20 0 FAADLO C[C@]1(C(=O)N[C@@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@@H]2O)CCNC(=O)C1 ZINC001219867647 793623498 /nfs/dbraw/zinc/62/34/98/793623498.db2.gz RJGJVCYXUDLKSA-IGCXYCKISA-N 1 2 352.435 -1.410 20 0 FAADLO C[C@]1(C(=O)N[C@@H]2C[N@H+](CCNC(=O)C3CC3)C[C@@H]2O)CCNC(=O)C1 ZINC001219867647 793623495 /nfs/dbraw/zinc/62/34/95/793623495.db2.gz RJGJVCYXUDLKSA-IGCXYCKISA-N 1 2 352.435 -1.410 20 0 FAADLO C[C@@]1(C(=O)N[C@@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@@H]2O)CCNC(=O)C1 ZINC001219867649 793623138 /nfs/dbraw/zinc/62/31/38/793623138.db2.gz RJGJVCYXUDLKSA-IIYDPXPESA-N 1 2 352.435 -1.410 20 0 FAADLO C[C@@]1(C(=O)N[C@@H]2C[N@H+](CCNC(=O)C3CC3)C[C@@H]2O)CCNC(=O)C1 ZINC001219867649 793623129 /nfs/dbraw/zinc/62/31/29/793623129.db2.gz RJGJVCYXUDLKSA-IIYDPXPESA-N 1 2 352.435 -1.410 20 0 FAADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@]2(C)CCNC(=O)C2)[C@@H](O)C1 ZINC001219868854 793623439 /nfs/dbraw/zinc/62/34/39/793623439.db2.gz BUDVHWNDMGMATI-IGCXYCKISA-N 1 2 354.451 -1.069 20 0 FAADLO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@]2(C)CCNC(=O)C2)[C@@H](O)C1 ZINC001219868854 793623429 /nfs/dbraw/zinc/62/34/29/793623429.db2.gz BUDVHWNDMGMATI-IGCXYCKISA-N 1 2 354.451 -1.069 20 0 FAADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@]2(C)CCNC(=O)C2)[C@@H](O)C1 ZINC001219868855 793623469 /nfs/dbraw/zinc/62/34/69/793623469.db2.gz BUDVHWNDMGMATI-IIYDPXPESA-N 1 2 354.451 -1.069 20 0 FAADLO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@]2(C)CCNC(=O)C2)[C@@H](O)C1 ZINC001219868855 793623460 /nfs/dbraw/zinc/62/34/60/793623460.db2.gz BUDVHWNDMGMATI-IIYDPXPESA-N 1 2 354.451 -1.069 20 0 FAADLO CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@]2(C)CCNC(=O)C2)[C@@H](O)C1 ZINC001219869086 793624633 /nfs/dbraw/zinc/62/46/33/793624633.db2.gz GLJDDEFGUOLHQS-IGCXYCKISA-N 1 2 354.451 -1.068 20 0 FAADLO CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@]2(C)CCNC(=O)C2)[C@@H](O)C1 ZINC001219869086 793624628 /nfs/dbraw/zinc/62/46/28/793624628.db2.gz GLJDDEFGUOLHQS-IGCXYCKISA-N 1 2 354.451 -1.068 20 0 FAADLO CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@]2(C)CCNC(=O)C2)[C@@H](O)C1 ZINC001219869087 793624291 /nfs/dbraw/zinc/62/42/91/793624291.db2.gz GLJDDEFGUOLHQS-IIYDPXPESA-N 1 2 354.451 -1.068 20 0 FAADLO CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@]2(C)CCNC(=O)C2)[C@@H](O)C1 ZINC001219869087 793624286 /nfs/dbraw/zinc/62/42/86/793624286.db2.gz GLJDDEFGUOLHQS-IIYDPXPESA-N 1 2 354.451 -1.068 20 0 FAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)COCc2cc[nH]c(=O)c2)[C@@H](O)C1 ZINC001219875895 793624313 /nfs/dbraw/zinc/62/43/13/793624313.db2.gz JKLVNGZMTSNOCC-RTXFEEFZSA-N 1 2 352.391 -1.400 20 0 FAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)COCc2cc[nH]c(=O)c2)[C@@H](O)C1 ZINC001219875895 793624306 /nfs/dbraw/zinc/62/43/06/793624306.db2.gz JKLVNGZMTSNOCC-RTXFEEFZSA-N 1 2 352.391 -1.400 20 0 FAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)COCc2cc[nH]c(=O)c2)[C@@H](O)C1 ZINC001219875896 793624459 /nfs/dbraw/zinc/62/44/59/793624459.db2.gz JKLVNGZMTSNOCC-UHTWSYAYSA-N 1 2 352.391 -1.400 20 0 FAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)COCc2cc[nH]c(=O)c2)[C@@H](O)C1 ZINC001219875896 793624453 /nfs/dbraw/zinc/62/44/53/793624453.db2.gz JKLVNGZMTSNOCC-UHTWSYAYSA-N 1 2 352.391 -1.400 20 0 FAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)COCc2cc[nH]c(=O)c2)[C@@H](O)C1 ZINC001219875948 793625323 /nfs/dbraw/zinc/62/53/23/793625323.db2.gz LXTQAVYOVGRQPM-OLZOCXBDSA-N 1 2 352.391 -1.447 20 0 FAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)COCc2cc[nH]c(=O)c2)[C@@H](O)C1 ZINC001219875948 793625319 /nfs/dbraw/zinc/62/53/19/793625319.db2.gz LXTQAVYOVGRQPM-OLZOCXBDSA-N 1 2 352.391 -1.447 20 0 FAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)COCc2cc[nH]c(=O)c2)[C@@H](O)C1 ZINC001219876032 793625232 /nfs/dbraw/zinc/62/52/32/793625232.db2.gz QNXBLKZPUNXAKP-AGIUHOORSA-N 1 2 352.391 -1.271 20 0 FAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)COCc2cc[nH]c(=O)c2)[C@@H](O)C1 ZINC001219876032 793625226 /nfs/dbraw/zinc/62/52/26/793625226.db2.gz QNXBLKZPUNXAKP-AGIUHOORSA-N 1 2 352.391 -1.271 20 0 FAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)COCc2cc[nH]c(=O)c2)[C@@H](O)C1 ZINC001219876033 793625577 /nfs/dbraw/zinc/62/55/77/793625577.db2.gz QNXBLKZPUNXAKP-UPJWGTAASA-N 1 2 352.391 -1.271 20 0 FAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)COCc2cc[nH]c(=O)c2)[C@@H](O)C1 ZINC001219876033 793625572 /nfs/dbraw/zinc/62/55/72/793625572.db2.gz QNXBLKZPUNXAKP-UPJWGTAASA-N 1 2 352.391 -1.271 20 0 FAADLO O=C(COCc1cc[nH]c(=O)c1)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219876081 793625440 /nfs/dbraw/zinc/62/54/40/793625440.db2.gz SWLXUJDRIQIXPA-AGIUHOORSA-N 1 2 350.375 -1.646 20 0 FAADLO O=C(COCc1cc[nH]c(=O)c1)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219876081 793625435 /nfs/dbraw/zinc/62/54/35/793625435.db2.gz SWLXUJDRIQIXPA-AGIUHOORSA-N 1 2 350.375 -1.646 20 0 FAADLO O=C(COCc1cc[nH]c(=O)c1)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219876082 793625894 /nfs/dbraw/zinc/62/58/94/793625894.db2.gz SWLXUJDRIQIXPA-UPJWGTAASA-N 1 2 350.375 -1.646 20 0 FAADLO O=C(COCc1cc[nH]c(=O)c1)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219876082 793625891 /nfs/dbraw/zinc/62/58/91/793625891.db2.gz SWLXUJDRIQIXPA-UPJWGTAASA-N 1 2 350.375 -1.646 20 0 FAADLO CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCCN2C)[C@@H](O)C1 ZINC001219879876 793625843 /nfs/dbraw/zinc/62/58/43/793625843.db2.gz UDYOGUMFQGWVHS-OAGGEKHMSA-N 1 2 356.467 -1.215 20 0 FAADLO CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCCN2C)[C@@H](O)C1 ZINC001219879876 793625838 /nfs/dbraw/zinc/62/58/38/793625838.db2.gz UDYOGUMFQGWVHS-OAGGEKHMSA-N 1 2 356.467 -1.215 20 0 FAADLO CC(=O)NCCOCCN1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@@H](O)C1 ZINC001219879876 793625832 /nfs/dbraw/zinc/62/58/32/793625832.db2.gz UDYOGUMFQGWVHS-OAGGEKHMSA-N 1 2 356.467 -1.215 20 0 FAADLO CC(=O)NCCOCCN1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001219879876 793625828 /nfs/dbraw/zinc/62/58/28/793625828.db2.gz UDYOGUMFQGWVHS-OAGGEKHMSA-N 1 2 356.467 -1.215 20 0 FAADLO CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN2C)[C@@H](O)C1 ZINC001219879877 793625371 /nfs/dbraw/zinc/62/53/71/793625371.db2.gz UDYOGUMFQGWVHS-PMPSAXMXSA-N 1 2 356.467 -1.215 20 0 FAADLO CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN2C)[C@@H](O)C1 ZINC001219879877 793625366 /nfs/dbraw/zinc/62/53/66/793625366.db2.gz UDYOGUMFQGWVHS-PMPSAXMXSA-N 1 2 356.467 -1.215 20 0 FAADLO CC(=O)NCCOCCN1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](O)C1 ZINC001219879877 793625363 /nfs/dbraw/zinc/62/53/63/793625363.db2.gz UDYOGUMFQGWVHS-PMPSAXMXSA-N 1 2 356.467 -1.215 20 0 FAADLO CC(=O)NCCOCCN1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001219879877 793625358 /nfs/dbraw/zinc/62/53/58/793625358.db2.gz UDYOGUMFQGWVHS-PMPSAXMXSA-N 1 2 356.467 -1.215 20 0 FAADLO CN1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@@H]2O)CC1=O ZINC001219884513 793626476 /nfs/dbraw/zinc/62/64/76/793626476.db2.gz HOVCKXVLGJRWDK-TUAOUCFPSA-N 1 2 362.452 -2.435 20 0 FAADLO CN1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@@H]2O)CC1=O ZINC001219884513 793626471 /nfs/dbraw/zinc/62/64/71/793626471.db2.gz HOVCKXVLGJRWDK-TUAOUCFPSA-N 1 2 362.452 -2.435 20 0 FAADLO CN1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@@H]2O)CC1=O ZINC001219884514 793626811 /nfs/dbraw/zinc/62/68/11/793626811.db2.gz HOVCKXVLGJRWDK-UTUOFQBUSA-N 1 2 362.452 -2.435 20 0 FAADLO CN1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@@H]2O)CC1=O ZINC001219884514 793626807 /nfs/dbraw/zinc/62/68/07/793626807.db2.gz HOVCKXVLGJRWDK-UTUOFQBUSA-N 1 2 362.452 -2.435 20 0 FAADLO CN1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@@H]2O)CC1=O ZINC001219884533 793626625 /nfs/dbraw/zinc/62/66/25/793626625.db2.gz IVCSTXVVYTZTJK-UPJWGTAASA-N 1 2 354.451 -1.069 20 0 FAADLO CN1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@@H]2O)CC1=O ZINC001219884533 793626621 /nfs/dbraw/zinc/62/66/21/793626621.db2.gz IVCSTXVVYTZTJK-UPJWGTAASA-N 1 2 354.451 -1.069 20 0 FAADLO 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CC(C)NC(=O)CN(C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001219947300 793642995 /nfs/dbraw/zinc/64/29/95/793642995.db2.gz BWTWRCKMDFLSDC-OLZOCXBDSA-N 1 2 357.455 -2.308 20 0 FAADLO CC(C)NC(=O)CN(C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001219947300 793642989 /nfs/dbraw/zinc/64/29/89/793642989.db2.gz BWTWRCKMDFLSDC-OLZOCXBDSA-N 1 2 357.455 -2.308 20 0 FAADLO Cc1nnccc1C(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001219949417 793642678 /nfs/dbraw/zinc/64/26/78/793642678.db2.gz BWUJFHIVHSKHDB-OLZOCXBDSA-N 1 2 357.436 -1.549 20 0 FAADLO Cc1nnccc1C(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001219949417 793642673 /nfs/dbraw/zinc/64/26/73/793642673.db2.gz BWUJFHIVHSKHDB-OLZOCXBDSA-N 1 2 357.436 -1.549 20 0 FAADLO Cc1nnc(COCC(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2O)s1 ZINC001219951395 793644070 /nfs/dbraw/zinc/64/40/70/793644070.db2.gz HPFDOJRXMVNJOU-MNOVXSKESA-N 1 2 357.436 -1.387 20 0 FAADLO Cc1nnc(COCC(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2O)s1 ZINC001219951395 793644065 /nfs/dbraw/zinc/64/40/65/793644065.db2.gz HPFDOJRXMVNJOU-MNOVXSKESA-N 1 2 357.436 -1.387 20 0 FAADLO Cc1nnc(COCC(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)s1 ZINC001219951455 793643937 /nfs/dbraw/zinc/64/39/37/793643937.db2.gz KSBHWHPUAYTPKW-NEPJUHHUSA-N 1 2 369.447 -1.243 20 0 FAADLO Cc1nnc(COCC(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2O)s1 ZINC001219951455 793643928 /nfs/dbraw/zinc/64/39/28/793643928.db2.gz KSBHWHPUAYTPKW-NEPJUHHUSA-N 1 2 369.447 -1.243 20 0 FAADLO Cc1nnc(COCC(=O)N[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]2O)s1 ZINC001219953170 793643829 /nfs/dbraw/zinc/64/38/29/793643829.db2.gz GAONOCJVBLZBQN-UTUOFQBUSA-N 1 2 369.447 -1.197 20 0 FAADLO Cc1nnc(COCC(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2O)s1 ZINC001219953170 793643826 /nfs/dbraw/zinc/64/38/26/793643826.db2.gz GAONOCJVBLZBQN-UTUOFQBUSA-N 1 2 369.447 -1.197 20 0 FAADLO Cc1nnc(COCC(=O)N[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]2O)s1 ZINC001219953171 793643918 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CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)cn2C)[C@@H](O)C1 ZINC001219954985 793644637 /nfs/dbraw/zinc/64/46/37/793644637.db2.gz AOQDJLMHTJCYFM-YPMHNXCESA-N 1 2 351.407 -1.623 20 0 FAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)COCc2nnc(C)s2)[C@@H](O)C1 ZINC001219955006 793644883 /nfs/dbraw/zinc/64/48/83/793644883.db2.gz BISDGQKHXKNHMP-MXWKQRLJSA-N 1 2 357.436 -1.212 20 0 FAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)COCc2nnc(C)s2)[C@@H](O)C1 ZINC001219955006 793644876 /nfs/dbraw/zinc/64/48/76/793644876.db2.gz BISDGQKHXKNHMP-MXWKQRLJSA-N 1 2 357.436 -1.212 20 0 FAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)COCc2nnc(C)s2)[C@@H](O)C1 ZINC001219955007 793645145 /nfs/dbraw/zinc/64/51/45/793645145.db2.gz BISDGQKHXKNHMP-VWYCJHECSA-N 1 2 357.436 -1.212 20 0 FAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)COCc2nnc(C)s2)[C@@H](O)C1 ZINC001219955007 793645137 /nfs/dbraw/zinc/64/51/37/793645137.db2.gz BISDGQKHXKNHMP-VWYCJHECSA-N 1 2 357.436 -1.212 20 0 FAADLO Cc1nnc(COCC(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2O)s1 ZINC001219955128 793645003 /nfs/dbraw/zinc/64/50/03/793645003.db2.gz IGLQKCJGCMYZEK-UTUOFQBUSA-N 1 2 369.447 -1.245 20 0 FAADLO Cc1nnc(COCC(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2O)s1 ZINC001219955128 793644997 /nfs/dbraw/zinc/64/49/97/793644997.db2.gz IGLQKCJGCMYZEK-UTUOFQBUSA-N 1 2 369.447 -1.245 20 0 FAADLO Cc1nnc(COCC(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@@H]2O)s1 ZINC001219955129 793644901 /nfs/dbraw/zinc/64/49/01/793644901.db2.gz IGLQKCJGCMYZEK-WOPDTQHZSA-N 1 2 369.447 -1.245 20 0 FAADLO Cc1nnc(COCC(=O)N[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@@H]2O)s1 ZINC001219955129 793644896 /nfs/dbraw/zinc/64/48/96/793644896.db2.gz IGLQKCJGCMYZEK-WOPDTQHZSA-N 1 2 369.447 -1.245 20 0 FAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@@H](O)C1 ZINC001219956665 793644530 /nfs/dbraw/zinc/64/45/30/793644530.db2.gz ISZIQSGFGONWCK-MNOVXSKESA-N 1 2 353.379 -2.412 20 0 FAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@@H](O)C1 ZINC001219956665 793644523 /nfs/dbraw/zinc/64/45/23/793644523.db2.gz ISZIQSGFGONWCK-MNOVXSKESA-N 1 2 353.379 -2.412 20 0 FAADLO CC(C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@@H](O)C1 ZINC001219956723 793645165 /nfs/dbraw/zinc/64/51/65/793645165.db2.gz LMGZVNVICXXIPY-MNOVXSKESA-N 1 2 353.379 -2.365 20 0 FAADLO CC(C)NC(=O)C[N@H+]1C[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@@H](O)C1 ZINC001219956723 793645158 /nfs/dbraw/zinc/64/51/58/793645158.db2.gz LMGZVNVICXXIPY-MNOVXSKESA-N 1 2 353.379 -2.365 20 0 FAADLO CS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(=O)CCc2cccnc2)[C@@H](O)C1 ZINC001219958771 793644601 /nfs/dbraw/zinc/64/46/01/793644601.db2.gz UGEVQDCDFDRLAI-KGLIPLIRSA-N 1 2 356.448 -1.275 20 0 FAADLO CS(=O)(=O)NCC[N@H+]1C[C@@H](NC(=O)CCc2cccnc2)[C@@H](O)C1 ZINC001219958771 793644596 /nfs/dbraw/zinc/64/45/96/793644596.db2.gz UGEVQDCDFDRLAI-KGLIPLIRSA-N 1 2 356.448 -1.275 20 0 FAADLO CC(C)(C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)CCCCNC(N)=O)[C@@H](O)C1 ZINC001219960854 793644553 /nfs/dbraw/zinc/64/45/53/793644553.db2.gz CBEKQJZAWKJUMX-NEPJUHHUSA-N 1 2 357.455 -1.099 20 0 FAADLO CC(C)(C)NC(=O)C[N@H+]1C[C@@H](NC(=O)CCCCNC(N)=O)[C@@H](O)C1 ZINC001219960854 793644548 /nfs/dbraw/zinc/64/45/48/793644548.db2.gz CBEKQJZAWKJUMX-NEPJUHHUSA-N 1 2 357.455 -1.099 20 0 FAADLO CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)CCCCNC(N)=O)[C@@H](O)C1 ZINC001219960879 793644713 /nfs/dbraw/zinc/64/47/13/793644713.db2.gz CYYOMGYIVBIAHI-OLZOCXBDSA-N 1 2 357.455 -1.145 20 0 FAADLO CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)CCCCNC(N)=O)[C@@H](O)C1 ZINC001219960879 793644709 /nfs/dbraw/zinc/64/47/09/793644709.db2.gz CYYOMGYIVBIAHI-OLZOCXBDSA-N 1 2 357.455 -1.145 20 0 FAADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CCCCNC(N)=O)[C@@H](O)C1 ZINC001219961003 793644827 /nfs/dbraw/zinc/64/48/27/793644827.db2.gz GQTBYRDHCLNYCA-OLZOCXBDSA-N 1 2 357.455 -1.147 20 0 FAADLO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](NC(=O)CCCCNC(N)=O)[C@@H](O)C1 ZINC001219961003 793644823 /nfs/dbraw/zinc/64/48/23/793644823.db2.gz GQTBYRDHCLNYCA-OLZOCXBDSA-N 1 2 357.455 -1.147 20 0 FAADLO NC(=O)NCCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001219961014 793644419 /nfs/dbraw/zinc/64/44/19/793644419.db2.gz HELXNIGDXKNFOQ-OLZOCXBDSA-N 1 2 355.439 -1.391 20 0 FAADLO NC(=O)NCCCCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001219961014 793644411 /nfs/dbraw/zinc/64/44/11/793644411.db2.gz HELXNIGDXKNFOQ-OLZOCXBDSA-N 1 2 355.439 -1.391 20 0 FAADLO CN(C(=O)C[N@@H+]1C[C@@H](NC(=O)CCCCNC(N)=O)[C@@H](O)C1)C1CC1 ZINC001219961069 793644488 /nfs/dbraw/zinc/64/44/88/793644488.db2.gz JOWGCUMDYRZOFK-OLZOCXBDSA-N 1 2 355.439 -1.393 20 0 FAADLO CN(C(=O)C[N@H+]1C[C@@H](NC(=O)CCCCNC(N)=O)[C@@H](O)C1)C1CC1 ZINC001219961069 793644486 /nfs/dbraw/zinc/64/44/86/793644486.db2.gz JOWGCUMDYRZOFK-OLZOCXBDSA-N 1 2 355.439 -1.393 20 0 FAADLO CS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(=O)CCCCNC(N)=O)[C@@H](O)C1 ZINC001219963007 793645886 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CCC[C@H](C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)S(N)(=O)=O ZINC001220069294 793660051 /nfs/dbraw/zinc/66/00/51/793660051.db2.gz XWDXFCYTRYLOTL-GRYCIOLGSA-N 1 2 360.440 -2.103 20 0 FAADLO CCC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)S(N)(=O)=O ZINC001220069295 793660180 /nfs/dbraw/zinc/66/01/80/793660180.db2.gz XWDXFCYTRYLOTL-WOPDTQHZSA-N 1 2 360.440 -2.103 20 0 FAADLO CCC[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)S(N)(=O)=O ZINC001220069295 793660175 /nfs/dbraw/zinc/66/01/75/793660175.db2.gz XWDXFCYTRYLOTL-WOPDTQHZSA-N 1 2 360.440 -2.103 20 0 FAADLO O=C(COCC(F)F)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001220069341 793660351 /nfs/dbraw/zinc/66/03/51/793660351.db2.gz ZSXYOWFPTBEXEV-MNOVXSKESA-N 1 2 371.406 -1.535 20 0 FAADLO O=C(COCC(F)F)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001220069341 793660347 /nfs/dbraw/zinc/66/03/47/793660347.db2.gz ZSXYOWFPTBEXEV-MNOVXSKESA-N 1 2 371.406 -1.535 20 0 FAADLO 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C[C@]1(C(=O)N[C@@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@@H]2O)CCC(=O)NC1 ZINC001220199795 793678541 /nfs/dbraw/zinc/67/85/41/793678541.db2.gz YRKVWNFCLWLUMR-IGCXYCKISA-N 1 2 352.435 -1.410 20 0 FAADLO C[C@]1(C(=O)N[C@@H]2C[N@H+](CCNC(=O)C3CC3)C[C@@H]2O)CCC(=O)NC1 ZINC001220199795 793678533 /nfs/dbraw/zinc/67/85/33/793678533.db2.gz YRKVWNFCLWLUMR-IGCXYCKISA-N 1 2 352.435 -1.410 20 0 FAADLO C[C@@]1(C(=O)N[C@@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@@H]2O)CCC(=O)NC1 ZINC001220199796 793678515 /nfs/dbraw/zinc/67/85/15/793678515.db2.gz YRKVWNFCLWLUMR-IIYDPXPESA-N 1 2 352.435 -1.410 20 0 FAADLO C[C@@]1(C(=O)N[C@@H]2C[N@H+](CCNC(=O)C3CC3)C[C@@H]2O)CCC(=O)NC1 ZINC001220199796 793678509 /nfs/dbraw/zinc/67/85/09/793678509.db2.gz YRKVWNFCLWLUMR-IIYDPXPESA-N 1 2 352.435 -1.410 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2C)[C@@H](O)C1)S(C)(=O)=O ZINC001220207273 793678924 /nfs/dbraw/zinc/67/89/24/793678924.db2.gz CXRUGNNKCGZOLT-UTUOFQBUSA-N 1 2 362.452 -2.340 20 0 FAADLO CN(CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2C)[C@@H](O)C1)S(C)(=O)=O ZINC001220207273 793678919 /nfs/dbraw/zinc/67/89/19/793678919.db2.gz CXRUGNNKCGZOLT-UTUOFQBUSA-N 1 2 362.452 -2.340 20 0 FAADLO CC(C)NC(=O)NCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2C)[C@@H](O)C1 ZINC001220207334 793679301 /nfs/dbraw/zinc/67/93/01/793679301.db2.gz GBSFUXRYOUYYCY-UPJWGTAASA-N 1 2 355.439 -1.524 20 0 FAADLO CC(C)NC(=O)NCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2C)[C@@H](O)C1 ZINC001220207334 793679297 /nfs/dbraw/zinc/67/92/97/793679297.db2.gz GBSFUXRYOUYYCY-UPJWGTAASA-N 1 2 355.439 -1.524 20 0 FAADLO CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2C)[C@@H](O)C1)C1CC1 ZINC001220207353 793679360 /nfs/dbraw/zinc/67/93/60/793679360.db2.gz GIMLWWJCHABRFG-MCIONIFRSA-N 1 2 352.435 -1.221 20 0 FAADLO CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2C)[C@@H](O)C1)C1CC1 ZINC001220207353 793679354 /nfs/dbraw/zinc/67/93/54/793679354.db2.gz GIMLWWJCHABRFG-MCIONIFRSA-N 1 2 352.435 -1.221 20 0 FAADLO CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2C)[C@@H](O)C1 ZINC001220207639 793679258 /nfs/dbraw/zinc/67/92/58/793679258.db2.gz PEAJYRAAQVGRRN-MCIONIFRSA-N 1 2 352.435 -1.363 20 0 FAADLO CN(CC1CC1)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2C)[C@@H](O)C1 ZINC001220207639 793679256 /nfs/dbraw/zinc/67/92/56/793679256.db2.gz PEAJYRAAQVGRRN-MCIONIFRSA-N 1 2 352.435 -1.363 20 0 FAADLO COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cnoc2)[C@@H](O)C1 ZINC001220207684 793679445 /nfs/dbraw/zinc/67/94/45/793679445.db2.gz QAAIJSPYGJVOPT-BNOWGMLFSA-N 1 2 354.407 -1.080 20 0 FAADLO COCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cnoc2)[C@@H](O)C1 ZINC001220207684 793679441 /nfs/dbraw/zinc/67/94/41/793679441.db2.gz QAAIJSPYGJVOPT-BNOWGMLFSA-N 1 2 354.407 -1.080 20 0 FAADLO COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cnoc2)[C@@H](O)C1 ZINC001220207686 793679189 /nfs/dbraw/zinc/67/91/89/793679189.db2.gz QAAIJSPYGJVOPT-YUTCNCBUSA-N 1 2 354.407 -1.080 20 0 FAADLO COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cnoc2)[C@@H](O)C1 ZINC001220207686 793679182 /nfs/dbraw/zinc/67/91/82/793679182.db2.gz QAAIJSPYGJVOPT-YUTCNCBUSA-N 1 2 354.407 -1.080 20 0 FAADLO CCOC1CC(CC(=O)N[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@@H]2O)C1 ZINC001220209379 793679137 /nfs/dbraw/zinc/67/91/37/793679137.db2.gz LWJWAYOBPNWHAD-PQAZSJQKSA-N 1 2 363.480 -1.098 20 0 FAADLO CCOC1CC(CC(=O)N[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@@H]2O)C1 ZINC001220209379 793679130 /nfs/dbraw/zinc/67/91/30/793679130.db2.gz LWJWAYOBPNWHAD-PQAZSJQKSA-N 1 2 363.480 -1.098 20 0 FAADLO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O)c1cncnc1 ZINC001220211983 793679824 /nfs/dbraw/zinc/67/98/24/793679824.db2.gz WAJDTJFAQJOLCE-BNOWGMLFSA-N 1 2 371.463 -1.367 20 0 FAADLO C[C@@H](C(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O)c1cncnc1 ZINC001220211983 793679819 /nfs/dbraw/zinc/67/98/19/793679819.db2.gz WAJDTJFAQJOLCE-BNOWGMLFSA-N 1 2 371.463 -1.367 20 0 FAADLO C[C@H](C(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O)c1cncnc1 ZINC001220211984 793680262 /nfs/dbraw/zinc/68/02/62/793680262.db2.gz WAJDTJFAQJOLCE-YUTCNCBUSA-N 1 2 371.463 -1.367 20 0 FAADLO C[C@H](C(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O)c1cncnc1 ZINC001220211984 793680259 /nfs/dbraw/zinc/68/02/59/793680259.db2.gz WAJDTJFAQJOLCE-YUTCNCBUSA-N 1 2 371.463 -1.367 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](NC(=O)[C@]2(F)CCOC2)[C@@H](O)C1)S(C)(=O)=O ZINC001220212895 793680176 /nfs/dbraw/zinc/68/01/76/793680176.db2.gz ANOHMFQBVFNZAG-MDZLAQPJSA-N 1 2 353.416 -1.832 20 0 FAADLO CN(CC[N@H+]1C[C@@H](NC(=O)[C@]2(F)CCOC2)[C@@H](O)C1)S(C)(=O)=O ZINC001220212895 793680170 /nfs/dbraw/zinc/68/01/70/793680170.db2.gz ANOHMFQBVFNZAG-MDZLAQPJSA-N 1 2 353.416 -1.832 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](NC(=O)[C@@]2(F)CCOC2)[C@@H](O)C1)S(C)(=O)=O ZINC001220212896 793680046 /nfs/dbraw/zinc/68/00/46/793680046.db2.gz ANOHMFQBVFNZAG-NTZNESFSSA-N 1 2 353.416 -1.832 20 0 FAADLO CN(CC[N@H+]1C[C@@H](NC(=O)[C@@]2(F)CCOC2)[C@@H](O)C1)S(C)(=O)=O ZINC001220212896 793680040 /nfs/dbraw/zinc/68/00/40/793680040.db2.gz ANOHMFQBVFNZAG-NTZNESFSSA-N 1 2 353.416 -1.832 20 0 FAADLO CC(=O)N[C@H](CC1CCC1)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001220214677 793679978 /nfs/dbraw/zinc/67/99/78/793679978.db2.gz KGPDRHOPZWJMHP-KFWWJZLASA-N 1 2 354.451 -1.069 20 0 FAADLO CC(=O)N[C@H](CC1CCC1)C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001220214677 793679971 /nfs/dbraw/zinc/67/99/71/793679971.db2.gz KGPDRHOPZWJMHP-KFWWJZLASA-N 1 2 354.451 -1.069 20 0 FAADLO Cc1ncc(C(=O)N[C@@H]2C[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]2O)n1C ZINC001220214853 793679846 /nfs/dbraw/zinc/67/98/46/793679846.db2.gz NZJCSXWOHITDJD-YPMHNXCESA-N 1 2 359.452 -1.605 20 0 FAADLO Cc1ncc(C(=O)N[C@@H]2C[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]2O)n1C ZINC001220214853 793679841 /nfs/dbraw/zinc/67/98/41/793679841.db2.gz NZJCSXWOHITDJD-YPMHNXCESA-N 1 2 359.452 -1.605 20 0 FAADLO COCCOCCN1C[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216706 793681415 /nfs/dbraw/zinc/68/14/15/793681415.db2.gz VCLKSPNLKNOQLF-OWCLPIDISA-N 1 2 359.467 -1.080 20 0 FAADLO COCCOCCN1C[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216706 793681413 /nfs/dbraw/zinc/68/14/13/793681413.db2.gz VCLKSPNLKNOQLF-OWCLPIDISA-N 1 2 359.467 -1.080 20 0 FAADLO COCCOCCN1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216707 793681022 /nfs/dbraw/zinc/68/10/22/793681022.db2.gz VCLKSPNLKNOQLF-PMPSAXMXSA-N 1 2 359.467 -1.080 20 0 FAADLO COCCOCCN1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216707 793681015 /nfs/dbraw/zinc/68/10/15/793681015.db2.gz VCLKSPNLKNOQLF-PMPSAXMXSA-N 1 2 359.467 -1.080 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](NC(=O)Cc2ncccc2F)[C@@H](O)C1 ZINC001220220509 793681103 /nfs/dbraw/zinc/68/11/03/793681103.db2.gz SBLBNZCNBVKGFC-AXTRIDKLSA-N 1 2 353.354 -1.492 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](NC(=O)Cc2ncccc2F)[C@@H](O)C1 ZINC001220220509 793681091 /nfs/dbraw/zinc/68/10/91/793681091.db2.gz SBLBNZCNBVKGFC-AXTRIDKLSA-N 1 2 353.354 -1.492 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](NC(=O)Cc2ncccc2F)[C@@H](O)C1 ZINC001220220510 793680887 /nfs/dbraw/zinc/68/08/87/793680887.db2.gz SBLBNZCNBVKGFC-FXAINCCUSA-N 1 2 353.354 -1.492 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](NC(=O)Cc2ncccc2F)[C@@H](O)C1 ZINC001220220510 793680882 /nfs/dbraw/zinc/68/08/82/793680882.db2.gz SBLBNZCNBVKGFC-FXAINCCUSA-N 1 2 353.354 -1.492 20 0 FAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3nn[nH]c32)[C@@H](O)C1 ZINC001220224131 793680926 /nfs/dbraw/zinc/68/09/26/793680926.db2.gz ASXFMMLHZAUQIH-RTXFEEFZSA-N 1 2 350.423 -1.136 20 0 FAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3nn[nH]c32)[C@@H](O)C1 ZINC001220224131 793680922 /nfs/dbraw/zinc/68/09/22/793680922.db2.gz ASXFMMLHZAUQIH-RTXFEEFZSA-N 1 2 350.423 -1.136 20 0 FAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3nn[nH]c32)[C@@H](O)C1 ZINC001220224132 793681259 /nfs/dbraw/zinc/68/12/59/793681259.db2.gz ASXFMMLHZAUQIH-UHTWSYAYSA-N 1 2 350.423 -1.136 20 0 FAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3nn[nH]c32)[C@@H](O)C1 ZINC001220224132 793681256 /nfs/dbraw/zinc/68/12/56/793681256.db2.gz ASXFMMLHZAUQIH-UHTWSYAYSA-N 1 2 350.423 -1.136 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1)S(C)(=O)=O ZINC001220224234 793680761 /nfs/dbraw/zinc/68/07/61/793680761.db2.gz FKIJSROAYAKTNV-MNOVXSKESA-N 1 2 359.408 -2.564 20 0 FAADLO CN(CC[N@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1)S(C)(=O)=O ZINC001220224234 793680755 /nfs/dbraw/zinc/68/07/55/793680755.db2.gz FKIJSROAYAKTNV-MNOVXSKESA-N 1 2 359.408 -2.564 20 0 FAADLO Cn1cc(OCC(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@@H]2O)cn1 ZINC001220224495 793681933 /nfs/dbraw/zinc/68/19/33/793681933.db2.gz PVPVCBOHRHTKAZ-KGLIPLIRSA-N 1 2 351.407 -1.417 20 0 FAADLO 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CC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001220398210 793705851 /nfs/dbraw/zinc/70/58/51/793705851.db2.gz XOFNSRVXVXHQGR-MCIONIFRSA-N 1 2 356.423 -2.079 20 0 FAADLO CC[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001220398211 793705910 /nfs/dbraw/zinc/70/59/10/793705910.db2.gz XOFNSRVXVXHQGR-MJBXVCDLSA-N 1 2 356.423 -2.079 20 0 FAADLO CC[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001220398211 793705907 /nfs/dbraw/zinc/70/59/07/793705907.db2.gz XOFNSRVXVXHQGR-MJBXVCDLSA-N 1 2 356.423 -2.079 20 0 FAADLO CC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)C)C[C@@H]1O ZINC001220401568 793706258 /nfs/dbraw/zinc/70/62/58/793706258.db2.gz GGSIOANIKATETI-MCIONIFRSA-N 1 2 357.455 -1.230 20 0 FAADLO CC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)C)C[C@@H]1O ZINC001220401568 793706249 /nfs/dbraw/zinc/70/62/49/793706249.db2.gz GGSIOANIKATETI-MCIONIFRSA-N 1 2 357.455 -1.230 20 0 FAADLO CC[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)C)C[C@@H]1O ZINC001220401569 793706004 /nfs/dbraw/zinc/70/60/04/793706004.db2.gz GGSIOANIKATETI-MJBXVCDLSA-N 1 2 357.455 -1.230 20 0 FAADLO CC[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)C)C[C@@H]1O ZINC001220401569 793705999 /nfs/dbraw/zinc/70/59/99/793705999.db2.gz GGSIOANIKATETI-MJBXVCDLSA-N 1 2 357.455 -1.230 20 0 FAADLO CC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001220401669 793706131 /nfs/dbraw/zinc/70/61/31/793706131.db2.gz IQQYGXIAOHMOAI-UPJWGTAASA-N 1 2 364.468 -2.046 20 0 FAADLO CC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001220401669 793706124 /nfs/dbraw/zinc/70/61/24/793706124.db2.gz IQQYGXIAOHMOAI-UPJWGTAASA-N 1 2 364.468 -2.046 20 0 FAADLO CC[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001220401670 793705992 /nfs/dbraw/zinc/70/59/92/793705992.db2.gz IQQYGXIAOHMOAI-XQQFMLRXSA-N 1 2 364.468 -2.046 20 0 FAADLO CC[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001220401670 793705989 /nfs/dbraw/zinc/70/59/89/793705989.db2.gz IQQYGXIAOHMOAI-XQQFMLRXSA-N 1 2 364.468 -2.046 20 0 FAADLO CC[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001220402064 793705789 /nfs/dbraw/zinc/70/57/89/793705789.db2.gz WPEMWGOJWJBASG-TUAOUCFPSA-N 1 2 350.441 -2.388 20 0 FAADLO CC[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001220402064 793705786 /nfs/dbraw/zinc/70/57/86/793705786.db2.gz WPEMWGOJWJBASG-TUAOUCFPSA-N 1 2 350.441 -2.388 20 0 FAADLO CC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001220402065 793705877 /nfs/dbraw/zinc/70/58/77/793705877.db2.gz WPEMWGOJWJBASG-UTUOFQBUSA-N 1 2 350.441 -2.388 20 0 FAADLO CC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001220402065 793705873 /nfs/dbraw/zinc/70/58/73/793705873.db2.gz WPEMWGOJWJBASG-UTUOFQBUSA-N 1 2 350.441 -2.388 20 0 FAADLO CN(CC[N@@H+]1C[C@@H](NC(=O)c2cc(C3CC3)n[nH]2)[C@@H](O)C1)S(C)(=O)=O ZINC001220402099 793706083 /nfs/dbraw/zinc/70/60/83/793706083.db2.gz XTHPKKPWWRAHGI-KGLIPLIRSA-N 1 2 371.463 -1.047 20 0 FAADLO CN(CC[N@H+]1C[C@@H](NC(=O)c2cc(C3CC3)n[nH]2)[C@@H](O)C1)S(C)(=O)=O ZINC001220402099 793706078 /nfs/dbraw/zinc/70/60/78/793706078.db2.gz XTHPKKPWWRAHGI-KGLIPLIRSA-N 1 2 371.463 -1.047 20 0 FAADLO CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](NC(=O)c2ccnnc2)[C@@H](O)C1 ZINC001220416062 793707276 /nfs/dbraw/zinc/70/72/76/793707276.db2.gz ICNPONZNXUKADN-OLZOCXBDSA-N 1 2 357.436 -1.419 20 0 FAADLO CCS(=O)(=O)NCCC[N@H+]1C[C@@H](NC(=O)c2ccnnc2)[C@@H](O)C1 ZINC001220416062 793707269 /nfs/dbraw/zinc/70/72/69/793707269.db2.gz ICNPONZNXUKADN-OLZOCXBDSA-N 1 2 357.436 -1.419 20 0 FAADLO Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]2O)c(=O)[nH]1 ZINC001220424011 793707082 /nfs/dbraw/zinc/70/70/82/793707082.db2.gz KWCUWUBOCACVNF-GDPRMGEGSA-N 1 2 351.363 -1.546 20 0 FAADLO Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]2O)c(=O)[nH]1 ZINC001220424011 793707080 /nfs/dbraw/zinc/70/70/80/793707080.db2.gz KWCUWUBOCACVNF-GDPRMGEGSA-N 1 2 351.363 -1.546 20 0 FAADLO Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H]2O)c(=O)[nH]1 ZINC001220424012 793706744 /nfs/dbraw/zinc/70/67/44/793706744.db2.gz KWCUWUBOCACVNF-IEBDPFPHSA-N 1 2 351.363 -1.546 20 0 FAADLO Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H]2O)c(=O)[nH]1 ZINC001220424012 793706738 /nfs/dbraw/zinc/70/67/38/793706738.db2.gz KWCUWUBOCACVNF-IEBDPFPHSA-N 1 2 351.363 -1.546 20 0 FAADLO Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@@H]2O)c(=O)[nH]1 ZINC001220424110 793706992 /nfs/dbraw/zinc/70/69/92/793706992.db2.gz PMPMDZSKQNUAGZ-NEPJUHHUSA-N 1 2 358.420 -1.580 20 0 FAADLO Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@@H]2O)c(=O)[nH]1 ZINC001220424110 793706986 /nfs/dbraw/zinc/70/69/86/793706986.db2.gz PMPMDZSKQNUAGZ-NEPJUHHUSA-N 1 2 358.420 -1.580 20 0 FAADLO CCCn1c(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)cc(=O)n(CCC)c1=O ZINC001220424438 793706805 /nfs/dbraw/zinc/70/68/05/793706805.db2.gz GBUKOPBZENDMBO-VIFPVBQESA-N 1 2 350.383 -1.148 20 0 FAADLO Cc1nccnc1C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220427179 793707201 /nfs/dbraw/zinc/70/72/01/793707201.db2.gz AHTYBKNLSKKXFI-RTXFEEFZSA-N 1 2 357.436 -1.616 20 0 FAADLO Cc1nccnc1C[N@H+]1C[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220427179 793707193 /nfs/dbraw/zinc/70/71/93/793707193.db2.gz AHTYBKNLSKKXFI-RTXFEEFZSA-N 1 2 357.436 -1.616 20 0 FAADLO Cc1nccnc1C[N@@H+]1C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220427180 793707069 /nfs/dbraw/zinc/70/70/69/793707069.db2.gz AHTYBKNLSKKXFI-UHTWSYAYSA-N 1 2 357.436 -1.616 20 0 FAADLO Cc1nccnc1C[N@H+]1C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220427180 793707066 /nfs/dbraw/zinc/70/70/66/793707066.db2.gz AHTYBKNLSKKXFI-UHTWSYAYSA-N 1 2 357.436 -1.616 20 0 FAADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220427249 793706658 /nfs/dbraw/zinc/70/66/58/793706658.db2.gz BYGCAVSVJWKNNN-TUAOUCFPSA-N 1 2 364.468 -2.048 20 0 FAADLO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220427249 793706649 /nfs/dbraw/zinc/70/66/49/793706649.db2.gz BYGCAVSVJWKNNN-TUAOUCFPSA-N 1 2 364.468 -2.048 20 0 FAADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220427251 793706679 /nfs/dbraw/zinc/70/66/79/793706679.db2.gz BYGCAVSVJWKNNN-UTUOFQBUSA-N 1 2 364.468 -2.048 20 0 FAADLO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220427251 793706671 /nfs/dbraw/zinc/70/66/71/793706671.db2.gz BYGCAVSVJWKNNN-UTUOFQBUSA-N 1 2 364.468 -2.048 20 0 FAADLO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@@H]1O ZINC001220427281 793706840 /nfs/dbraw/zinc/70/68/40/793706840.db2.gz CMZJDOWPHLQSSC-AXFHLTTASA-N 1 2 364.468 -2.000 20 0 FAADLO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@@H]1O ZINC001220427281 793706832 /nfs/dbraw/zinc/70/68/32/793706832.db2.gz CMZJDOWPHLQSSC-AXFHLTTASA-N 1 2 364.468 -2.000 20 0 FAADLO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@@H]1O ZINC001220427282 793706772 /nfs/dbraw/zinc/70/67/72/793706772.db2.gz CMZJDOWPHLQSSC-MXWKQRLJSA-N 1 2 364.468 -2.000 20 0 FAADLO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@@H]1O ZINC001220427282 793706765 /nfs/dbraw/zinc/70/67/65/793706765.db2.gz CMZJDOWPHLQSSC-MXWKQRLJSA-N 1 2 364.468 -2.000 20 0 FAADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@@H](O)C1 ZINC001220427314 793708170 /nfs/dbraw/zinc/70/81/70/793708170.db2.gz DQHHAYTTWOMOBM-AXFHLTTASA-N 1 2 355.395 -2.387 20 0 FAADLO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@@H](O)C1 ZINC001220427314 793708164 /nfs/dbraw/zinc/70/81/64/793708164.db2.gz DQHHAYTTWOMOBM-AXFHLTTASA-N 1 2 355.395 -2.387 20 0 FAADLO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@@H]1O ZINC001220427326 793707872 /nfs/dbraw/zinc/70/78/72/793707872.db2.gz DVFRISUIBGYDOP-JLLWLGSASA-N 1 2 362.452 -2.294 20 0 FAADLO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@@H]1O ZINC001220427326 793707864 /nfs/dbraw/zinc/70/78/64/793707864.db2.gz DVFRISUIBGYDOP-JLLWLGSASA-N 1 2 362.452 -2.294 20 0 FAADLO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@@H]1O ZINC001220427329 793707792 /nfs/dbraw/zinc/70/77/92/793707792.db2.gz DVFRISUIBGYDOP-WCQGTBRESA-N 1 2 362.452 -2.294 20 0 FAADLO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@@H]1O ZINC001220427329 793707786 /nfs/dbraw/zinc/70/77/86/793707786.db2.gz DVFRISUIBGYDOP-WCQGTBRESA-N 1 2 362.452 -2.294 20 0 FAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220427425 793707913 /nfs/dbraw/zinc/70/79/13/793707913.db2.gz GYGRCKDBELFXAP-AXFHLTTASA-N 1 2 350.441 -2.436 20 0 FAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220427425 793707907 /nfs/dbraw/zinc/70/79/07/793707907.db2.gz GYGRCKDBELFXAP-AXFHLTTASA-N 1 2 350.441 -2.436 20 0 FAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220427426 793707774 /nfs/dbraw/zinc/70/77/74/793707774.db2.gz GYGRCKDBELFXAP-MXWKQRLJSA-N 1 2 350.441 -2.436 20 0 FAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220427426 793707769 /nfs/dbraw/zinc/70/77/69/793707769.db2.gz GYGRCKDBELFXAP-MXWKQRLJSA-N 1 2 350.441 -2.436 20 0 FAADLO Cc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220427428 793708011 /nfs/dbraw/zinc/70/80/11/793708011.db2.gz HAYPQTKGVHZAKA-BIMULSAOSA-N 1 2 360.436 -1.110 20 0 FAADLO Cc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220427428 793708006 /nfs/dbraw/zinc/70/80/06/793708006.db2.gz HAYPQTKGVHZAKA-BIMULSAOSA-N 1 2 360.436 -1.110 20 0 FAADLO Cc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220427430 793708079 /nfs/dbraw/zinc/70/80/79/793708079.db2.gz HAYPQTKGVHZAKA-WQAKAFBOSA-N 1 2 360.436 -1.110 20 0 FAADLO Cc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220427430 793708073 /nfs/dbraw/zinc/70/80/73/793708073.db2.gz HAYPQTKGVHZAKA-WQAKAFBOSA-N 1 2 360.436 -1.110 20 0 FAADLO O=C(N[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@@H]1O)[C@@H]1CC(=O)NC(=O)N1 ZINC001220427485 793707755 /nfs/dbraw/zinc/70/77/55/793707755.db2.gz IOJKBZABKDCONN-YIZRAAEISA-N 1 2 368.312 -1.675 20 0 FAADLO O=C(N[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@@H]1O)[C@@H]1CC(=O)NC(=O)N1 ZINC001220427485 793707749 /nfs/dbraw/zinc/70/77/49/793707749.db2.gz IOJKBZABKDCONN-YIZRAAEISA-N 1 2 368.312 -1.675 20 0 FAADLO CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@@H](O)C1 ZINC001220427491 793708185 /nfs/dbraw/zinc/70/81/85/793708185.db2.gz IQZMNIACPUCMDH-AXFHLTTASA-N 1 2 355.395 -2.386 20 0 FAADLO CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@@H](O)C1 ZINC001220427491 793708181 /nfs/dbraw/zinc/70/81/81/793708181.db2.gz IQZMNIACPUCMDH-AXFHLTTASA-N 1 2 355.395 -2.386 20 0 FAADLO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001220427573 793708023 /nfs/dbraw/zinc/70/80/23/793708023.db2.gz KKSVVTPDRSOVIO-JLLWLGSASA-N 1 2 362.452 -2.388 20 0 FAADLO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001220427573 793708020 /nfs/dbraw/zinc/70/80/20/793708020.db2.gz KKSVVTPDRSOVIO-JLLWLGSASA-N 1 2 362.452 -2.388 20 0 FAADLO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001220427574 793708226 /nfs/dbraw/zinc/70/82/26/793708226.db2.gz KKSVVTPDRSOVIO-WCQGTBRESA-N 1 2 362.452 -2.388 20 0 FAADLO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001220427574 793708218 /nfs/dbraw/zinc/70/82/18/793708218.db2.gz KKSVVTPDRSOVIO-WCQGTBRESA-N 1 2 362.452 -2.388 20 0 FAADLO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001220427591 793707663 /nfs/dbraw/zinc/70/76/63/793707663.db2.gz KVUPBIBGARJLTA-TUAOUCFPSA-N 1 2 362.452 -2.292 20 0 FAADLO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001220427591 793707656 /nfs/dbraw/zinc/70/76/56/793707656.db2.gz KVUPBIBGARJLTA-TUAOUCFPSA-N 1 2 362.452 -2.292 20 0 FAADLO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001220427592 793708064 /nfs/dbraw/zinc/70/80/64/793708064.db2.gz KVUPBIBGARJLTA-UTUOFQBUSA-N 1 2 362.452 -2.292 20 0 FAADLO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001220427592 793708060 /nfs/dbraw/zinc/70/80/60/793708060.db2.gz KVUPBIBGARJLTA-UTUOFQBUSA-N 1 2 362.452 -2.292 20 0 FAADLO O=C(NCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@@H](O)C1)C1CC1 ZINC001220427630 793708153 /nfs/dbraw/zinc/70/81/53/793708153.db2.gz MEICIPHXJOVJDA-AXFHLTTASA-N 1 2 353.379 -2.728 20 0 FAADLO O=C(NCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@@H](O)C1)C1CC1 ZINC001220427630 793708149 /nfs/dbraw/zinc/70/81/49/793708149.db2.gz MEICIPHXJOVJDA-AXFHLTTASA-N 1 2 353.379 -2.728 20 0 FAADLO Cc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H](O)C2)ncn1 ZINC001220427634 793707609 /nfs/dbraw/zinc/70/76/09/793707609.db2.gz MGUOKGHOFUIXFM-RTXFEEFZSA-N 1 2 357.436 -1.616 20 0 FAADLO Cc1cc(C[N@H+]2C[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H](O)C2)ncn1 ZINC001220427634 793707605 /nfs/dbraw/zinc/70/76/05/793707605.db2.gz MGUOKGHOFUIXFM-RTXFEEFZSA-N 1 2 357.436 -1.616 20 0 FAADLO Cc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@@H](O)C2)ncn1 ZINC001220427635 793707943 /nfs/dbraw/zinc/70/79/43/793707943.db2.gz MGUOKGHOFUIXFM-UHTWSYAYSA-N 1 2 357.436 -1.616 20 0 FAADLO Cc1cc(C[N@H+]2C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@@H](O)C2)ncn1 ZINC001220427635 793707937 /nfs/dbraw/zinc/70/79/37/793707937.db2.gz MGUOKGHOFUIXFM-UHTWSYAYSA-N 1 2 357.436 -1.616 20 0 FAADLO Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H](O)C2)o1 ZINC001220427641 793708127 /nfs/dbraw/zinc/70/81/27/793708127.db2.gz MQAMBUXFSQSFHV-JLLWLGSASA-N 1 2 360.436 -1.110 20 0 FAADLO Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H](O)C2)o1 ZINC001220427641 793708122 /nfs/dbraw/zinc/70/81/22/793708122.db2.gz MQAMBUXFSQSFHV-JLLWLGSASA-N 1 2 360.436 -1.110 20 0 FAADLO Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@@H](O)C2)o1 ZINC001220427642 793708051 /nfs/dbraw/zinc/70/80/51/793708051.db2.gz MQAMBUXFSQSFHV-WCQGTBRESA-N 1 2 360.436 -1.110 20 0 FAADLO Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@@H](O)C2)o1 ZINC001220427642 793708046 /nfs/dbraw/zinc/70/80/46/793708046.db2.gz MQAMBUXFSQSFHV-WCQGTBRESA-N 1 2 360.436 -1.110 20 0 FAADLO Cc1nn(C)cc1C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220427736 793707701 /nfs/dbraw/zinc/70/77/01/793707701.db2.gz NBVNMQDWBSOQQZ-RTXFEEFZSA-N 1 2 359.452 -1.672 20 0 FAADLO Cc1nn(C)cc1C[N@H+]1C[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220427736 793707694 /nfs/dbraw/zinc/70/76/94/793707694.db2.gz NBVNMQDWBSOQQZ-RTXFEEFZSA-N 1 2 359.452 -1.672 20 0 FAADLO Cc1nn(C)cc1C[N@@H+]1C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220427737 793708887 /nfs/dbraw/zinc/70/88/87/793708887.db2.gz NBVNMQDWBSOQQZ-UHTWSYAYSA-N 1 2 359.452 -1.672 20 0 FAADLO Cc1nn(C)cc1C[N@H+]1C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220427737 793708884 /nfs/dbraw/zinc/70/88/84/793708884.db2.gz NBVNMQDWBSOQQZ-UHTWSYAYSA-N 1 2 359.452 -1.672 20 0 FAADLO CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220427843 793708832 /nfs/dbraw/zinc/70/88/32/793708832.db2.gz PQQYSUIAGYPIHW-TUAOUCFPSA-N 1 2 364.468 -2.046 20 0 FAADLO CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220427843 793708828 /nfs/dbraw/zinc/70/88/28/793708828.db2.gz PQQYSUIAGYPIHW-TUAOUCFPSA-N 1 2 364.468 -2.046 20 0 FAADLO CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220427844 793708457 /nfs/dbraw/zinc/70/84/57/793708457.db2.gz PQQYSUIAGYPIHW-UTUOFQBUSA-N 1 2 364.468 -2.046 20 0 FAADLO CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220427844 793708453 /nfs/dbraw/zinc/70/84/53/793708453.db2.gz PQQYSUIAGYPIHW-UTUOFQBUSA-N 1 2 364.468 -2.046 20 0 FAADLO CC(C)(C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@@H](O)C1 ZINC001220427971 793708672 /nfs/dbraw/zinc/70/86/72/793708672.db2.gz QJJBEBNTJFEJRY-AEJSXWLSSA-N 1 2 355.395 -2.340 20 0 FAADLO CC(C)(C)NC(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@@H](O)C1 ZINC001220427971 793708668 /nfs/dbraw/zinc/70/86/68/793708668.db2.gz QJJBEBNTJFEJRY-AEJSXWLSSA-N 1 2 355.395 -2.340 20 0 FAADLO CS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@@H](O)C1 ZINC001220428012 793708655 /nfs/dbraw/zinc/70/86/55/793708655.db2.gz SIMGGBHQGXVKJK-YIZRAAEISA-N 1 2 363.396 -3.705 20 0 FAADLO CS(=O)(=O)NCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@@H](O)C1 ZINC001220428012 793708650 /nfs/dbraw/zinc/70/86/50/793708650.db2.gz SIMGGBHQGXVKJK-YIZRAAEISA-N 1 2 363.396 -3.705 20 0 FAADLO CCc1nocc1C[N@@H+]1C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220428355 793709684 /nfs/dbraw/zinc/70/96/84/793709684.db2.gz XRGLQFOFBOICTP-BIMULSAOSA-N 1 2 360.436 -1.164 20 0 FAADLO CCc1nocc1C[N@H+]1C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220428355 793709675 /nfs/dbraw/zinc/70/96/75/793709675.db2.gz XRGLQFOFBOICTP-BIMULSAOSA-N 1 2 360.436 -1.164 20 0 FAADLO CCc1nocc1C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220428356 793709205 /nfs/dbraw/zinc/70/92/05/793709205.db2.gz XRGLQFOFBOICTP-WQAKAFBOSA-N 1 2 360.436 -1.164 20 0 FAADLO CCc1nocc1C[N@H+]1C[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220428356 793709201 /nfs/dbraw/zinc/70/92/01/793709201.db2.gz XRGLQFOFBOICTP-WQAKAFBOSA-N 1 2 360.436 -1.164 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](NC(=O)Cn2cc(Cl)cn2)[C@@H](O)C1 ZINC001220432431 793709618 /nfs/dbraw/zinc/70/96/18/793709618.db2.gz KWMVZPKGUOUGTL-QNSHHTMESA-N 1 2 358.786 -1.719 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](NC(=O)Cn2cc(Cl)cn2)[C@@H](O)C1 ZINC001220432431 793709610 /nfs/dbraw/zinc/70/96/10/793709610.db2.gz KWMVZPKGUOUGTL-QNSHHTMESA-N 1 2 358.786 -1.719 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](NC(=O)Cn2cc(Cl)cn2)[C@@H](O)C1 ZINC001220432432 793709796 /nfs/dbraw/zinc/70/97/96/793709796.db2.gz KWMVZPKGUOUGTL-SFGNSQDASA-N 1 2 358.786 -1.719 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](NC(=O)Cn2cc(Cl)cn2)[C@@H](O)C1 ZINC001220432432 793709793 /nfs/dbraw/zinc/70/97/93/793709793.db2.gz KWMVZPKGUOUGTL-SFGNSQDASA-N 1 2 358.786 -1.719 20 0 FAADLO CCCN1C[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)CC)C[C@@H]2O)CC1=O ZINC001220436850 793710146 /nfs/dbraw/zinc/71/01/46/793710146.db2.gz JWCNTKADGQJNNA-MCIONIFRSA-N 1 2 354.451 -1.116 20 0 FAADLO CCCN1C[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)CC)C[C@@H]2O)CC1=O ZINC001220436850 793710138 /nfs/dbraw/zinc/71/01/38/793710138.db2.gz JWCNTKADGQJNNA-MCIONIFRSA-N 1 2 354.451 -1.116 20 0 FAADLO CCCN1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)CC)C[C@@H]2O)CC1=O ZINC001220436851 793710281 /nfs/dbraw/zinc/71/02/81/793710281.db2.gz JWCNTKADGQJNNA-MJBXVCDLSA-N 1 2 354.451 -1.116 20 0 FAADLO CCCN1C[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)CC)C[C@@H]2O)CC1=O ZINC001220436851 793710275 /nfs/dbraw/zinc/71/02/75/793710275.db2.gz JWCNTKADGQJNNA-MJBXVCDLSA-N 1 2 354.451 -1.116 20 0 FAADLO Cc1ccnn1CC(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001220437006 793710090 /nfs/dbraw/zinc/71/00/90/793710090.db2.gz QDDAEZABDOPKGZ-OLZOCXBDSA-N 1 2 359.452 -1.756 20 0 FAADLO Cc1ccnn1CC(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001220437006 793710086 /nfs/dbraw/zinc/71/00/86/793710086.db2.gz QDDAEZABDOPKGZ-OLZOCXBDSA-N 1 2 359.452 -1.756 20 0 FAADLO CN(C)S(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001220438957 793710027 /nfs/dbraw/zinc/71/00/27/793710027.db2.gz BGCROZKNVRZZHY-MNOVXSKESA-N 1 2 363.440 -3.178 20 0 FAADLO CN(C)S(=O)(=O)NCC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001220438957 793710021 /nfs/dbraw/zinc/71/00/21/793710021.db2.gz BGCROZKNVRZZHY-MNOVXSKESA-N 1 2 363.440 -3.178 20 0 FAADLO Cc1ccn(CC(=O)N[C@@H]2C[N@@H+](CC(=O)NC(C)C)C[C@@H]2O)c(=O)c1 ZINC001220438970 793710567 /nfs/dbraw/zinc/71/05/67/793710567.db2.gz BNVQPIOBZZCKRE-KGLIPLIRSA-N 1 2 350.419 -1.157 20 0 FAADLO Cc1ccn(CC(=O)N[C@@H]2C[N@H+](CC(=O)NC(C)C)C[C@@H]2O)c(=O)c1 ZINC001220438970 793710558 /nfs/dbraw/zinc/71/05/58/793710558.db2.gz BNVQPIOBZZCKRE-KGLIPLIRSA-N 1 2 350.419 -1.157 20 0 FAADLO Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)CNS(=O)(=O)N(C)C)[C@@H](O)C2)o1 ZINC001220438975 793710049 /nfs/dbraw/zinc/71/00/49/793710049.db2.gz BVYUFURBUCVRLS-NEPJUHHUSA-N 1 2 361.424 -1.960 20 0 FAADLO Cc1ncc(C[N@H+]2C[C@@H](NC(=O)CNS(=O)(=O)N(C)C)[C@@H](O)C2)o1 ZINC001220438975 793710044 /nfs/dbraw/zinc/71/00/44/793710044.db2.gz BVYUFURBUCVRLS-NEPJUHHUSA-N 1 2 361.424 -1.960 20 0 FAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)Cn2ccc(C)cc2=O)[C@@H](O)C1 ZINC001220438976 793710258 /nfs/dbraw/zinc/71/02/58/793710258.db2.gz BXMTUTDHMUZWHR-KGLIPLIRSA-N 1 2 350.419 -1.204 20 0 FAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)Cn2ccc(C)cc2=O)[C@@H](O)C1 ZINC001220438976 793710252 /nfs/dbraw/zinc/71/02/52/793710252.db2.gz BXMTUTDHMUZWHR-KGLIPLIRSA-N 1 2 350.419 -1.204 20 0 FAADLO Cc1nocc1C[N@@H+]1C[C@@H](NC(=O)CNS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001220439008 793710222 /nfs/dbraw/zinc/71/02/22/793710222.db2.gz CZHHVLOZSSCUQS-NEPJUHHUSA-N 1 2 361.424 -1.960 20 0 FAADLO Cc1nocc1C[N@H+]1C[C@@H](NC(=O)CNS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001220439008 793710213 /nfs/dbraw/zinc/71/02/13/793710213.db2.gz CZHHVLOZSSCUQS-NEPJUHHUSA-N 1 2 361.424 -1.960 20 0 FAADLO CN(C)S(=O)(=O)NCC(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@@H]1O 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CPTHMTOBFHLAMR-UPJWGTAASA-N 1 2 352.435 -1.363 20 0 FAADLO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001220733609 793768241 /nfs/dbraw/zinc/76/82/41/793768241.db2.gz FDGIIBCNMDWPBJ-XKXJEGEASA-N 1 2 357.802 -1.908 20 0 FAADLO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O ZINC001220733609 793768238 /nfs/dbraw/zinc/76/82/38/793768238.db2.gz FDGIIBCNMDWPBJ-XKXJEGEASA-N 1 2 357.802 -1.908 20 0 FAADLO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001220733610 793768477 /nfs/dbraw/zinc/76/84/77/793768477.db2.gz FDGIIBCNMDWPBJ-ZKEFAPGFSA-N 1 2 357.802 -1.908 20 0 FAADLO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001220733610 793768469 /nfs/dbraw/zinc/76/84/69/793768469.db2.gz FDGIIBCNMDWPBJ-ZKEFAPGFSA-N 1 2 357.802 -1.908 20 0 FAADLO CN(C)C(=O)C1(C(=O)N[C@@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@@H]2O)CC1 ZINC001220733656 793768326 /nfs/dbraw/zinc/76/83/26/793768326.db2.gz HUDLESJECZDAOP-OLZOCXBDSA-N 1 2 352.435 -1.458 20 0 FAADLO CN(C)C(=O)C1(C(=O)N[C@@H]2C[N@H+](CCNC(=O)C3CC3)C[C@@H]2O)CC1 ZINC001220733656 793768318 /nfs/dbraw/zinc/76/83/18/793768318.db2.gz HUDLESJECZDAOP-OLZOCXBDSA-N 1 2 352.435 -1.458 20 0 FAADLO CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)C2(C(=O)N(C)C)CC2)[C@@H](O)C1 ZINC001220733928 793768365 /nfs/dbraw/zinc/76/83/65/793768365.db2.gz RVFCISUGICNXJD-OLZOCXBDSA-N 1 2 354.451 -1.116 20 0 FAADLO CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)C2(C(=O)N(C)C)CC2)[C@@H](O)C1 ZINC001220733928 793768358 /nfs/dbraw/zinc/76/83/58/793768358.db2.gz RVFCISUGICNXJD-OLZOCXBDSA-N 1 2 354.451 -1.116 20 0 FAADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C2(C(=O)N(C)C)CC2)[C@@H](O)C1 ZINC001220733942 793768454 /nfs/dbraw/zinc/76/84/54/793768454.db2.gz SXUSMOAWJIUQRH-OLZOCXBDSA-N 1 2 354.451 -1.117 20 0 FAADLO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](NC(=O)C2(C(=O)N(C)C)CC2)[C@@H](O)C1 ZINC001220733942 793768447 /nfs/dbraw/zinc/76/84/47/793768447.db2.gz SXUSMOAWJIUQRH-OLZOCXBDSA-N 1 2 354.451 -1.117 20 0 FAADLO CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2(C(=O)N(C)C)CC2)[C@@H](O)C1 ZINC001220735525 793768430 /nfs/dbraw/zinc/76/84/30/793768430.db2.gz FAJCBSYIIQJKMD-UPJWGTAASA-N 1 2 354.451 -1.069 20 0 FAADLO CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2(C(=O)N(C)C)CC2)[C@@H](O)C1 ZINC001220735525 793768425 /nfs/dbraw/zinc/76/84/25/793768425.db2.gz FAJCBSYIIQJKMD-UPJWGTAASA-N 1 2 354.451 -1.069 20 0 FAADLO CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2(C(=O)N(C)C)CC2)[C@@H](O)C1 ZINC001220735526 793768552 /nfs/dbraw/zinc/76/85/52/793768552.db2.gz FAJCBSYIIQJKMD-XQQFMLRXSA-N 1 2 354.451 -1.069 20 0 FAADLO CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2(C(=O)N(C)C)CC2)[C@@H](O)C1 ZINC001220735526 793768544 /nfs/dbraw/zinc/76/85/44/793768544.db2.gz FAJCBSYIIQJKMD-XQQFMLRXSA-N 1 2 354.451 -1.069 20 0 FAADLO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](NC(=O)C2(C(=O)N(C)C)CC2)[C@@H](O)C1 ZINC001220735693 793768344 /nfs/dbraw/zinc/76/83/44/793768344.db2.gz LEMKFZFJEADKQJ-RTXFEEFZSA-N 1 2 352.435 -1.317 20 0 FAADLO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](NC(=O)C2(C(=O)N(C)C)CC2)[C@@H](O)C1 ZINC001220735693 793768340 /nfs/dbraw/zinc/76/83/40/793768340.db2.gz LEMKFZFJEADKQJ-RTXFEEFZSA-N 1 2 352.435 -1.317 20 0 FAADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](NC(=O)C2(C(=O)N(C)C)CC2)[C@@H](O)C1 ZINC001220735694 793768115 /nfs/dbraw/zinc/76/81/15/793768115.db2.gz LEMKFZFJEADKQJ-UHTWSYAYSA-N 1 2 352.435 -1.317 20 0 FAADLO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](NC(=O)C2(C(=O)N(C)C)CC2)[C@@H](O)C1 ZINC001220735694 793768111 /nfs/dbraw/zinc/76/81/11/793768111.db2.gz LEMKFZFJEADKQJ-UHTWSYAYSA-N 1 2 352.435 -1.317 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](NC(=O)C2(C(=O)N(C)C)CC2)[C@@H](O)C1 ZINC001220735774 793768211 /nfs/dbraw/zinc/76/82/11/793768211.db2.gz NWGAGSSOJVAIKF-AEJSXWLSSA-N 1 2 355.395 -2.401 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](NC(=O)C2(C(=O)N(C)C)CC2)[C@@H](O)C1 ZINC001220735774 793768206 /nfs/dbraw/zinc/76/82/06/793768206.db2.gz NWGAGSSOJVAIKF-AEJSXWLSSA-N 1 2 355.395 -2.401 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](NC(=O)C2(C(=O)N(C)C)CC2)[C@@H](O)C1 ZINC001220735775 793768785 /nfs/dbraw/zinc/76/87/85/793768785.db2.gz NWGAGSSOJVAIKF-BBBLOLIVSA-N 1 2 355.395 -2.401 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](NC(=O)C2(C(=O)N(C)C)CC2)[C@@H](O)C1 ZINC001220735775 793768779 /nfs/dbraw/zinc/76/87/79/793768779.db2.gz NWGAGSSOJVAIKF-BBBLOLIVSA-N 1 2 355.395 -2.401 20 0 FAADLO CCn1cc(CC(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H]2O)cn1 ZINC001220737951 793768666 /nfs/dbraw/zinc/76/86/66/793768666.db2.gz HVKULESHZHWPRM-JLLWLGSASA-N 1 2 352.395 -1.810 20 0 FAADLO CCn1cc(CC(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H]2O)cn1 ZINC001220737951 793768659 /nfs/dbraw/zinc/76/86/59/793768659.db2.gz HVKULESHZHWPRM-JLLWLGSASA-N 1 2 352.395 -1.810 20 0 FAADLO CCn1cc(CC(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]2O)cn1 ZINC001220737952 793769335 /nfs/dbraw/zinc/76/93/35/793769335.db2.gz HVKULESHZHWPRM-WCQGTBRESA-N 1 2 352.395 -1.810 20 0 FAADLO CCn1cc(CC(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]2O)cn1 ZINC001220737952 793769327 /nfs/dbraw/zinc/76/93/27/793769327.db2.gz HVKULESHZHWPRM-WCQGTBRESA-N 1 2 352.395 -1.810 20 0 FAADLO CCn1cc(CC(=O)N[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@@H]2O)cn1 ZINC001220738010 793769445 /nfs/dbraw/zinc/76/94/45/793769445.db2.gz KBJFNQSUKLGRNL-OLZOCXBDSA-N 1 2 359.452 -1.844 20 0 FAADLO CCn1cc(CC(=O)N[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@@H]2O)cn1 ZINC001220738010 793769439 /nfs/dbraw/zinc/76/94/39/793769439.db2.gz KBJFNQSUKLGRNL-OLZOCXBDSA-N 1 2 359.452 -1.844 20 0 FAADLO CC(=O)N[C@@](C)(C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O)C1CC1 ZINC001220746533 793769591 /nfs/dbraw/zinc/76/95/91/793769591.db2.gz DNGFOPCRVGUVDI-JKIFEVAISA-N 1 2 352.435 -1.315 20 0 FAADLO CC(=O)N[C@@](C)(C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O)C1CC1 ZINC001220746533 793769583 /nfs/dbraw/zinc/76/95/83/793769583.db2.gz DNGFOPCRVGUVDI-JKIFEVAISA-N 1 2 352.435 -1.315 20 0 FAADLO CC(=O)N[C@](C)(C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O)C1CC1 ZINC001220746534 793769182 /nfs/dbraw/zinc/76/91/82/793769182.db2.gz DNGFOPCRVGUVDI-KEYYUXOJSA-N 1 2 352.435 -1.315 20 0 FAADLO CC(=O)N[C@](C)(C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O)C1CC1 ZINC001220746534 793769175 /nfs/dbraw/zinc/76/91/75/793769175.db2.gz DNGFOPCRVGUVDI-KEYYUXOJSA-N 1 2 352.435 -1.315 20 0 FAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@](C)(NC(C)=O)C2CC2)[C@@H](O)C1 ZINC001220747100 793770159 /nfs/dbraw/zinc/77/01/59/793770159.db2.gz YMHCVQHUGOXKAG-JKIFEVAISA-N 1 2 354.451 -1.069 20 0 FAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@](C)(NC(C)=O)C2CC2)[C@@H](O)C1 ZINC001220747100 793770155 /nfs/dbraw/zinc/77/01/55/793770155.db2.gz YMHCVQHUGOXKAG-JKIFEVAISA-N 1 2 354.451 -1.069 20 0 FAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@](C)(NC(C)=O)C2CC2)[C@@H](O)C1 ZINC001220747101 793770437 /nfs/dbraw/zinc/77/04/37/793770437.db2.gz YMHCVQHUGOXKAG-KEYYUXOJSA-N 1 2 354.451 -1.069 20 0 FAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@](C)(NC(C)=O)C2CC2)[C@@H](O)C1 ZINC001220747101 793770430 /nfs/dbraw/zinc/77/04/30/793770430.db2.gz YMHCVQHUGOXKAG-KEYYUXOJSA-N 1 2 354.451 -1.069 20 0 FAADLO CC(C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](O)C1 ZINC001220750075 793770020 /nfs/dbraw/zinc/77/00/20/793770020.db2.gz JPHFMXJEORENJT-MNOVXSKESA-N 1 2 355.395 -2.434 20 0 FAADLO CC(C)NC(=O)C[N@H+]1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](O)C1 ZINC001220750075 793770011 /nfs/dbraw/zinc/77/00/11/793770011.db2.gz JPHFMXJEORENJT-MNOVXSKESA-N 1 2 355.395 -2.434 20 0 FAADLO CC(C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCCN(C)C2=O)[C@@H](O)C1 ZINC001220750214 793770109 /nfs/dbraw/zinc/77/01/09/793770109.db2.gz PTZURYOUHHMZOY-MCIONIFRSA-N 1 2 354.451 -1.069 20 0 FAADLO CC(C)NC(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCCN(C)C2=O)[C@@H](O)C1 ZINC001220750214 793770102 /nfs/dbraw/zinc/77/01/02/793770102.db2.gz PTZURYOUHHMZOY-MCIONIFRSA-N 1 2 354.451 -1.069 20 0 FAADLO CC(C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN(C)C2=O)[C@@H](O)C1 ZINC001220750215 793769958 /nfs/dbraw/zinc/76/99/58/793769958.db2.gz PTZURYOUHHMZOY-MJBXVCDLSA-N 1 2 354.451 -1.069 20 0 FAADLO CC(C)NC(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN(C)C2=O)[C@@H](O)C1 ZINC001220750215 793769954 /nfs/dbraw/zinc/76/99/54/793769954.db2.gz PTZURYOUHHMZOY-MJBXVCDLSA-N 1 2 354.451 -1.069 20 0 FAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](O)C1 ZINC001220750221 793770294 /nfs/dbraw/zinc/77/02/94/793770294.db2.gz QHEAJRBDZXKVDE-MNOVXSKESA-N 1 2 355.395 -2.480 20 0 FAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](O)C1 ZINC001220750221 793770285 /nfs/dbraw/zinc/77/02/85/793770285.db2.gz QHEAJRBDZXKVDE-MNOVXSKESA-N 1 2 355.395 -2.480 20 0 FAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCCN(C)C2=O)[C@@H](O)C1 ZINC001220750348 793770972 /nfs/dbraw/zinc/77/09/72/793770972.db2.gz WATINDRREAJAIX-MCIONIFRSA-N 1 2 354.451 -1.116 20 0 FAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCCN(C)C2=O)[C@@H](O)C1 ZINC001220750348 793770968 /nfs/dbraw/zinc/77/09/68/793770968.db2.gz WATINDRREAJAIX-MCIONIFRSA-N 1 2 354.451 -1.116 20 0 FAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN(C)C2=O)[C@@H](O)C1 ZINC001220750349 793771048 /nfs/dbraw/zinc/77/10/48/793771048.db2.gz WATINDRREAJAIX-MJBXVCDLSA-N 1 2 354.451 -1.116 20 0 FAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN(C)C2=O)[C@@H](O)C1 ZINC001220750349 793771042 /nfs/dbraw/zinc/77/10/42/793771042.db2.gz WATINDRREAJAIX-MJBXVCDLSA-N 1 2 354.451 -1.116 20 0 FAADLO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)c1cc(=O)n2[nH]cnc2n1 ZINC001220752622 793771371 /nfs/dbraw/zinc/77/13/71/793771371.db2.gz IBGSXAYOSKBRGO-MNOVXSKESA-N 1 2 352.351 -2.799 20 0 FAADLO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)c1cc(=O)n2[nH]cnc2n1 ZINC001220752622 793771364 /nfs/dbraw/zinc/77/13/64/793771364.db2.gz IBGSXAYOSKBRGO-MNOVXSKESA-N 1 2 352.351 -2.799 20 0 FAADLO CS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3n[nH]cc3C2)[C@@H](O)C1 ZINC001220752657 793771023 /nfs/dbraw/zinc/77/10/23/793771023.db2.gz JWFVRWISKXGYCL-GDLCADMTSA-N 1 2 371.463 -1.775 20 0 FAADLO CS(=O)(=O)NCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3n[nH]cc3C2)[C@@H](O)C1 ZINC001220752657 793771018 /nfs/dbraw/zinc/77/10/18/793771018.db2.gz JWFVRWISKXGYCL-GDLCADMTSA-N 1 2 371.463 -1.775 20 0 FAADLO CS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3n[nH]cc3C2)[C@@H](O)C1 ZINC001220752658 793771848 /nfs/dbraw/zinc/77/18/48/793771848.db2.gz JWFVRWISKXGYCL-HONMWMINSA-N 1 2 371.463 -1.775 20 0 FAADLO CS(=O)(=O)NCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3n[nH]cc3C2)[C@@H](O)C1 ZINC001220752658 793771843 /nfs/dbraw/zinc/77/18/43/793771843.db2.gz JWFVRWISKXGYCL-HONMWMINSA-N 1 2 371.463 -1.775 20 0 FAADLO CC(C)OCC[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H](O)C1 ZINC001220752663 793771448 /nfs/dbraw/zinc/77/14/48/793771448.db2.gz JYNYENZJNUELDW-NEPJUHHUSA-N 1 2 350.379 -1.383 20 0 FAADLO CC(C)OCC[N@H+]1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H](O)C1 ZINC001220752663 793771422 /nfs/dbraw/zinc/77/14/22/793771422.db2.gz JYNYENZJNUELDW-NEPJUHHUSA-N 1 2 350.379 -1.383 20 0 FAADLO C[C@H](CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O)N1CCCC1=O ZINC001220753158 793771743 /nfs/dbraw/zinc/77/17/43/793771743.db2.gz BFZUWWBAJHYNRK-MCIONIFRSA-N 1 2 352.435 -1.219 20 0 FAADLO C[C@H](CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O)N1CCCC1=O ZINC001220753158 793771738 /nfs/dbraw/zinc/77/17/38/793771738.db2.gz BFZUWWBAJHYNRK-MCIONIFRSA-N 1 2 352.435 -1.219 20 0 FAADLO C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O)N1CCCC1=O ZINC001220753159 793772470 /nfs/dbraw/zinc/77/24/70/793772470.db2.gz BFZUWWBAJHYNRK-MJBXVCDLSA-N 1 2 352.435 -1.219 20 0 FAADLO C[C@@H](CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O)N1CCCC1=O ZINC001220753159 793772466 /nfs/dbraw/zinc/77/24/66/793772466.db2.gz BFZUWWBAJHYNRK-MJBXVCDLSA-N 1 2 352.435 -1.219 20 0 FAADLO 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/nfs/dbraw/zinc/80/42/88/793804288.db2.gz CLMMGCNJCJTJTG-MXWKQRLJSA-N 1 2 355.395 -2.256 20 0 FAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCCN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001220944247 793803576 /nfs/dbraw/zinc/80/35/76/793803576.db2.gz CLMMGCNJCJTJTG-VWYCJHECSA-N 1 2 355.395 -2.256 20 0 FAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCCN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001220944247 793803566 /nfs/dbraw/zinc/80/35/66/793803566.db2.gz CLMMGCNJCJTJTG-VWYCJHECSA-N 1 2 355.395 -2.256 20 0 FAADLO CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCCN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001220944324 793803941 /nfs/dbraw/zinc/80/39/41/793803941.db2.gz HUGUFUANIIEMHX-MNOVXSKESA-N 1 2 355.395 -2.384 20 0 FAADLO CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCCN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001220944324 793803926 /nfs/dbraw/zinc/80/39/26/793803926.db2.gz HUGUFUANIIEMHX-MNOVXSKESA-N 1 2 355.395 -2.384 20 0 FAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCCN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001220944331 793803990 /nfs/dbraw/zinc/80/39/90/793803990.db2.gz 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353.379 -2.632 20 0 FAADLO O=C(CCCN1C(=O)CNC1=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001220944435 793803608 /nfs/dbraw/zinc/80/36/08/793803608.db2.gz NDHGQFBDHQNIGZ-VWYCJHECSA-N 1 2 353.379 -2.632 20 0 FAADLO O=C(CCCN1C(=O)CNC1=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001220944435 793803597 /nfs/dbraw/zinc/80/35/97/793803597.db2.gz NDHGQFBDHQNIGZ-VWYCJHECSA-N 1 2 353.379 -2.632 20 0 FAADLO CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2ccccc2=O)[C@@H](O)C1 ZINC001220944436 793803286 /nfs/dbraw/zinc/80/32/86/793803286.db2.gz NDTYRJLUQFJRKH-MCIONIFRSA-N 1 2 350.419 -1.076 20 0 FAADLO CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cn2ccccc2=O)[C@@H](O)C1 ZINC001220944436 793803279 /nfs/dbraw/zinc/80/32/79/793803279.db2.gz NDTYRJLUQFJRKH-MCIONIFRSA-N 1 2 350.419 -1.076 20 0 FAADLO CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2ccccc2=O)[C@@H](O)C1 ZINC001220944437 793804077 /nfs/dbraw/zinc/80/40/77/793804077.db2.gz NDTYRJLUQFJRKH-MJBXVCDLSA-N 1 2 350.419 -1.076 20 0 FAADLO CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cn2ccccc2=O)[C@@H](O)C1 ZINC001220944437 793804065 /nfs/dbraw/zinc/80/40/65/793804065.db2.gz NDTYRJLUQFJRKH-MJBXVCDLSA-N 1 2 350.419 -1.076 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](NC(=O)Cn2ccccc2=O)[C@@H](O)C1 ZINC001220944637 793805361 /nfs/dbraw/zinc/80/53/61/793805361.db2.gz WWWCBJUGIIRPOQ-AXFHLTTASA-N 1 2 351.363 -2.407 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](NC(=O)Cn2ccccc2=O)[C@@H](O)C1 ZINC001220944637 793805352 /nfs/dbraw/zinc/80/53/52/793805352.db2.gz WWWCBJUGIIRPOQ-AXFHLTTASA-N 1 2 351.363 -2.407 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](NC(=O)Cn2ccccc2=O)[C@@H](O)C1 ZINC001220944638 793805386 /nfs/dbraw/zinc/80/53/86/793805386.db2.gz WWWCBJUGIIRPOQ-MXWKQRLJSA-N 1 2 351.363 -2.407 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](NC(=O)Cn2ccccc2=O)[C@@H](O)C1 ZINC001220944638 793805379 /nfs/dbraw/zinc/80/53/79/793805379.db2.gz WWWCBJUGIIRPOQ-MXWKQRLJSA-N 1 2 351.363 -2.407 20 0 FAADLO 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C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CNC(=O)c2ccccc2F)[C@@H](O)C1 ZINC001220973787 793806658 /nfs/dbraw/zinc/80/66/58/793806658.db2.gz ZAYPXJWUEQFDLF-WQAKAFBOSA-N 1 2 352.366 -1.409 20 0 FAADLO CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)Cc2c(C)nc(C)[nH]c2=O)[C@@H](O)C1 ZINC001220973810 793806832 /nfs/dbraw/zinc/80/68/32/793806832.db2.gz ALCOSPIYANEGFX-OLZOCXBDSA-N 1 2 351.407 -1.361 20 0 FAADLO CCNC(=O)C[N@H+]1C[C@@H](NC(=O)Cc2c(C)nc(C)[nH]c2=O)[C@@H](O)C1 ZINC001220973810 793806827 /nfs/dbraw/zinc/80/68/27/793806827.db2.gz ALCOSPIYANEGFX-OLZOCXBDSA-N 1 2 351.407 -1.361 20 0 FAADLO CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)Cn2ccnc2C)[C@@H](O)C1 ZINC001220979039 793809039 /nfs/dbraw/zinc/80/90/39/793809039.db2.gz BOKTWWGWYZKRHE-CABCVRRESA-N 1 2 353.423 -1.494 20 0 FAADLO CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)Cn2ccnc2C)[C@@H](O)C1 ZINC001220979039 793809037 /nfs/dbraw/zinc/80/90/37/793809037.db2.gz BOKTWWGWYZKRHE-CABCVRRESA-N 1 2 353.423 -1.494 20 0 FAADLO Cc1ccc(CC(=O)N[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@@H]2O)cn1 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20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CCCOC2)[C@@H](O)C1 ZINC001220987363 793811424 /nfs/dbraw/zinc/81/14/24/793811424.db2.gz MUVZAYWRBDZLGW-MCIONIFRSA-N 1 2 363.480 -1.096 20 0 FAADLO CCS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCCOC2)[C@@H](O)C1 ZINC001220987365 793811336 /nfs/dbraw/zinc/81/13/36/793811336.db2.gz MUVZAYWRBDZLGW-MJBXVCDLSA-N 1 2 363.480 -1.096 20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCCOC2)[C@@H](O)C1 ZINC001220987365 793811328 /nfs/dbraw/zinc/81/13/28/793811328.db2.gz MUVZAYWRBDZLGW-MJBXVCDLSA-N 1 2 363.480 -1.096 20 0 FAADLO CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@@H](O)C1 ZINC001220987410 793811369 /nfs/dbraw/zinc/81/13/69/793811369.db2.gz NTCMISZLNUKZII-BIMULSAOSA-N 1 2 351.407 -1.197 20 0 FAADLO CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@@H](O)C1 ZINC001220987410 793811362 /nfs/dbraw/zinc/81/13/62/793811362.db2.gz NTCMISZLNUKZII-BIMULSAOSA-N 1 2 351.407 -1.197 20 0 FAADLO CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@@H](O)C1 ZINC001220987411 793812256 /nfs/dbraw/zinc/81/22/56/793812256.db2.gz NTCMISZLNUKZII-WQAKAFBOSA-N 1 2 351.407 -1.197 20 0 FAADLO CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@@H](O)C1 ZINC001220987411 793812246 /nfs/dbraw/zinc/81/22/46/793812246.db2.gz NTCMISZLNUKZII-WQAKAFBOSA-N 1 2 351.407 -1.197 20 0 FAADLO CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H](O)C1 ZINC001220987498 793812053 /nfs/dbraw/zinc/81/20/53/793812053.db2.gz QIXAWWIXKDKQJG-TUAOUCFPSA-N 1 2 362.452 -2.292 20 0 FAADLO CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H](O)C1 ZINC001220987498 793812045 /nfs/dbraw/zinc/81/20/45/793812045.db2.gz QIXAWWIXKDKQJG-TUAOUCFPSA-N 1 2 362.452 -2.292 20 0 FAADLO CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@@H](O)C1 ZINC001220987499 793811404 /nfs/dbraw/zinc/81/14/04/793811404.db2.gz QIXAWWIXKDKQJG-UTUOFQBUSA-N 1 2 362.452 -2.292 20 0 FAADLO 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C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](NC(=O)CCc2cn(C)nn2)[C@@H](O)C1 ZINC001221189956 793849718 /nfs/dbraw/zinc/84/97/18/793849718.db2.gz SFQBPZUHBUYUKC-GDLCADMTSA-N 1 2 350.423 -1.424 20 0 FAADLO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](NC(=O)CCc2cn(C)nn2)[C@@H](O)C1 ZINC001221189956 793849703 /nfs/dbraw/zinc/84/97/03/793849703.db2.gz SFQBPZUHBUYUKC-GDLCADMTSA-N 1 2 350.423 -1.424 20 0 FAADLO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](NC(=O)CCc2cn(C)nn2)[C@@H](O)C1 ZINC001221189957 793849845 /nfs/dbraw/zinc/84/98/45/793849845.db2.gz SFQBPZUHBUYUKC-HONMWMINSA-N 1 2 350.423 -1.424 20 0 FAADLO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](NC(=O)CCc2cn(C)nn2)[C@@H](O)C1 ZINC001221189957 793849837 /nfs/dbraw/zinc/84/98/37/793849837.db2.gz SFQBPZUHBUYUKC-HONMWMINSA-N 1 2 350.423 -1.424 20 0 FAADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H](C)N2CCOCC2)[C@@H](O)C1 ZINC001221189965 793849461 /nfs/dbraw/zinc/84/94/61/793849461.db2.gz SYJYTSLEWBVCCZ-ZNMIVQPWSA-N 1 2 356.467 -1.265 20 0 FAADLO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H](C)N2CCOCC2)[C@@H](O)C1 ZINC001221189965 793849447 /nfs/dbraw/zinc/84/94/47/793849447.db2.gz SYJYTSLEWBVCCZ-ZNMIVQPWSA-N 1 2 356.467 -1.265 20 0 FAADLO Cn1cc(CCC(=O)N[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@@H]2O)nn1 ZINC001221190015 793849147 /nfs/dbraw/zinc/84/91/47/793849147.db2.gz VOKGQOXMKQYMAM-NEPJUHHUSA-N 1 2 360.440 -2.542 20 0 FAADLO Cn1cc(CCC(=O)N[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@@H]2O)nn1 ZINC001221190015 793849134 /nfs/dbraw/zinc/84/91/34/793849134.db2.gz VOKGQOXMKQYMAM-NEPJUHHUSA-N 1 2 360.440 -2.542 20 0 FAADLO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@@H]1O)N1CCOCC1 ZINC001221190027 793848933 /nfs/dbraw/zinc/84/89/33/793848933.db2.gz VZHUSRAVIHWCRA-CFVMTHIKSA-N 1 2 354.451 -1.605 20 0 FAADLO C[C@@H](C(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@@H]1O)N1CCOCC1 ZINC001221190027 793848923 /nfs/dbraw/zinc/84/89/23/793848923.db2.gz VZHUSRAVIHWCRA-CFVMTHIKSA-N 1 2 354.451 -1.605 20 0 FAADLO Cn1cc(CCC(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@@H]2O)nn1 ZINC001221190043 793849373 /nfs/dbraw/zinc/84/93/73/793849373.db2.gz WGDGTSDUPKCNCE-KGLIPLIRSA-N 1 2 350.423 -1.469 20 0 FAADLO Cn1cc(CCC(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCC3)C[C@@H]2O)nn1 ZINC001221190043 793849363 /nfs/dbraw/zinc/84/93/63/793849363.db2.gz WGDGTSDUPKCNCE-KGLIPLIRSA-N 1 2 350.423 -1.469 20 0 FAADLO CN(C(=O)C[N@@H+]1C[C@@H](NC(=O)CCc2cn(C)nn2)[C@@H](O)C1)C1CC1 ZINC001221190090 793849497 /nfs/dbraw/zinc/84/94/97/793849497.db2.gz WYFMJIIBSAQJLR-KGLIPLIRSA-N 1 2 350.423 -1.470 20 0 FAADLO CN(C(=O)C[N@H+]1C[C@@H](NC(=O)CCc2cn(C)nn2)[C@@H](O)C1)C1CC1 ZINC001221190090 793849487 /nfs/dbraw/zinc/84/94/87/793849487.db2.gz WYFMJIIBSAQJLR-KGLIPLIRSA-N 1 2 350.423 -1.470 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](NC(=O)CCc2cn(C)nn2)[C@@H](O)C1 ZINC001221190226 793850428 /nfs/dbraw/zinc/85/04/28/793850428.db2.gz ZRSHFLHNKQMJHE-GDPRMGEGSA-N 1 2 353.383 -2.508 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](NC(=O)CCc2cn(C)nn2)[C@@H](O)C1 ZINC001221190226 793850418 /nfs/dbraw/zinc/85/04/18/793850418.db2.gz ZRSHFLHNKQMJHE-GDPRMGEGSA-N 1 2 353.383 -2.508 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](NC(=O)CCc2cn(C)nn2)[C@@H](O)C1 ZINC001221190227 793850388 /nfs/dbraw/zinc/85/03/88/793850388.db2.gz ZRSHFLHNKQMJHE-IEBDPFPHSA-N 1 2 353.383 -2.508 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](NC(=O)CCc2cn(C)nn2)[C@@H](O)C1 ZINC001221190227 793850376 /nfs/dbraw/zinc/85/03/76/793850376.db2.gz ZRSHFLHNKQMJHE-IEBDPFPHSA-N 1 2 353.383 -2.508 20 0 FAADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CCc2cn(C)nn2)[C@@H](O)C1 ZINC001221192631 793850078 /nfs/dbraw/zinc/85/00/78/793850078.db2.gz ANCUZSPBCBQBSL-KGLIPLIRSA-N 1 2 352.439 -1.224 20 0 FAADLO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](NC(=O)CCc2cn(C)nn2)[C@@H](O)C1 ZINC001221192631 793850066 /nfs/dbraw/zinc/85/00/66/793850066.db2.gz ANCUZSPBCBQBSL-KGLIPLIRSA-N 1 2 352.439 -1.224 20 0 FAADLO CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)CCc2cn(C)nn2)[C@@H](O)C1 ZINC001221192843 793850219 /nfs/dbraw/zinc/85/02/19/793850219.db2.gz MYVCYVVGJXWUOT-KGLIPLIRSA-N 1 2 352.439 -1.223 20 0 FAADLO CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)CCc2cn(C)nn2)[C@@H](O)C1 ZINC001221192843 793850212 /nfs/dbraw/zinc/85/02/12/793850212.db2.gz MYVCYVVGJXWUOT-KGLIPLIRSA-N 1 2 352.439 -1.223 20 0 FAADLO Cn1cc(CCC(=O)N[C@@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@@H]2O)nn1 ZINC001221192877 793851066 /nfs/dbraw/zinc/85/10/66/793851066.db2.gz OJEQFJIMJHKORN-OLZOCXBDSA-N 1 2 352.439 -1.176 20 0 FAADLO Cn1cc(CCC(=O)N[C@@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@@H]2O)nn1 ZINC001221192877 793851056 /nfs/dbraw/zinc/85/10/56/793851056.db2.gz OJEQFJIMJHKORN-OLZOCXBDSA-N 1 2 352.439 -1.176 20 0 FAADLO CC(C)C[C@H](C(N)=O)C(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001221195173 793850783 /nfs/dbraw/zinc/85/07/83/793850783.db2.gz PGXLFNWPSTZLHH-MCIONIFRSA-N 1 2 354.451 -1.179 20 0 FAADLO CC(C)C[C@H](C(N)=O)C(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001221195173 793850774 /nfs/dbraw/zinc/85/07/74/793850774.db2.gz PGXLFNWPSTZLHH-MCIONIFRSA-N 1 2 354.451 -1.179 20 0 FAADLO CC(C)C[C@@H](C(N)=O)C(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001221195174 793851039 /nfs/dbraw/zinc/85/10/39/793851039.db2.gz PGXLFNWPSTZLHH-MJBXVCDLSA-N 1 2 354.451 -1.179 20 0 FAADLO CC(C)C[C@@H](C(N)=O)C(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001221195174 793851029 /nfs/dbraw/zinc/85/10/29/793851029.db2.gz PGXLFNWPSTZLHH-MJBXVCDLSA-N 1 2 354.451 -1.179 20 0 FAADLO CC(C)C[C@H](C(N)=O)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@@H]1O ZINC001221195512 793850972 /nfs/dbraw/zinc/85/09/72/793850972.db2.gz WKTRDOXBMQKIBO-MCIONIFRSA-N 1 2 354.451 -1.084 20 0 FAADLO CC(C)C[C@H](C(N)=O)C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@@H]1O ZINC001221195512 793850960 /nfs/dbraw/zinc/85/09/60/793850960.db2.gz WKTRDOXBMQKIBO-MCIONIFRSA-N 1 2 354.451 -1.084 20 0 FAADLO CC(C)C[C@@H](C(N)=O)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@@H]1O ZINC001221195513 793851107 /nfs/dbraw/zinc/85/11/07/793851107.db2.gz WKTRDOXBMQKIBO-MJBXVCDLSA-N 1 2 354.451 -1.084 20 0 FAADLO CC(C)C[C@@H](C(N)=O)C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@@H]1O ZINC001221195513 793851096 /nfs/dbraw/zinc/85/10/96/793851096.db2.gz WKTRDOXBMQKIBO-MJBXVCDLSA-N 1 2 354.451 -1.084 20 0 FAADLO CC(C)C[C@@H](C(N)=O)C(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001221195599 793851007 /nfs/dbraw/zinc/85/10/07/793851007.db2.gz ZAFBKHUFMKDYEX-TUAOUCFPSA-N 1 2 364.468 -2.156 20 0 FAADLO CC(C)C[C@@H](C(N)=O)C(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001221195599 793850995 /nfs/dbraw/zinc/85/09/95/793850995.db2.gz ZAFBKHUFMKDYEX-TUAOUCFPSA-N 1 2 364.468 -2.156 20 0 FAADLO CC(C)C[C@H](C(N)=O)C(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001221195600 793850362 /nfs/dbraw/zinc/85/03/62/793850362.db2.gz ZAFBKHUFMKDYEX-UTUOFQBUSA-N 1 2 364.468 -2.156 20 0 FAADLO CC(C)C[C@H](C(N)=O)C(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001221195600 793850354 /nfs/dbraw/zinc/85/03/54/793850354.db2.gz ZAFBKHUFMKDYEX-UTUOFQBUSA-N 1 2 364.468 -2.156 20 0 FAADLO CC(C)C[C@H](C(N)=O)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001221195609 793850576 /nfs/dbraw/zinc/85/05/76/793850576.db2.gz ZRFVCXVEIJCGED-MCIONIFRSA-N 1 2 354.451 -1.082 20 0 FAADLO CC(C)C[C@H](C(N)=O)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001221195609 793850566 /nfs/dbraw/zinc/85/05/66/793850566.db2.gz ZRFVCXVEIJCGED-MCIONIFRSA-N 1 2 354.451 -1.082 20 0 FAADLO CC(C)C[C@@H](C(N)=O)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001221195610 793850138 /nfs/dbraw/zinc/85/01/38/793850138.db2.gz ZRFVCXVEIJCGED-MJBXVCDLSA-N 1 2 354.451 -1.082 20 0 FAADLO CC(C)C[C@@H](C(N)=O)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001221195610 793850124 /nfs/dbraw/zinc/85/01/24/793850124.db2.gz ZRFVCXVEIJCGED-MJBXVCDLSA-N 1 2 354.451 -1.082 20 0 FAADLO CS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC23CCOCC3)[C@@H](O)C1 ZINC001221196580 793850753 /nfs/dbraw/zinc/85/07/53/793850753.db2.gz KMYOGYMTTPWTSK-UPJWGTAASA-N 1 2 361.464 -1.486 20 0 FAADLO CS(=O)(=O)NCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC23CCOCC3)[C@@H](O)C1 ZINC001221196580 793850746 /nfs/dbraw/zinc/85/07/46/793850746.db2.gz KMYOGYMTTPWTSK-UPJWGTAASA-N 1 2 361.464 -1.486 20 0 FAADLO CS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC23CCOCC3)[C@@H](O)C1 ZINC001221196581 793850675 /nfs/dbraw/zinc/85/06/75/793850675.db2.gz KMYOGYMTTPWTSK-XQQFMLRXSA-N 1 2 361.464 -1.486 20 0 FAADLO CS(=O)(=O)NCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC23CCOCC3)[C@@H](O)C1 ZINC001221196581 793850667 /nfs/dbraw/zinc/85/06/67/793850667.db2.gz KMYOGYMTTPWTSK-XQQFMLRXSA-N 1 2 361.464 -1.486 20 0 FAADLO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@@H]1O)C1CCOCC1 ZINC001221196612 793850628 /nfs/dbraw/zinc/85/06/28/793850628.db2.gz LDMNNOGIGDIMIZ-BNOWGMLFSA-N 1 2 363.480 -1.240 20 0 FAADLO C[C@@H](C(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@@H]1O)C1CCOCC1 ZINC001221196612 793850623 /nfs/dbraw/zinc/85/06/23/793850623.db2.gz LDMNNOGIGDIMIZ-BNOWGMLFSA-N 1 2 363.480 -1.240 20 0 FAADLO C[C@H](C(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@@H]1O)C1CCOCC1 ZINC001221196613 793850260 /nfs/dbraw/zinc/85/02/60/793850260.db2.gz LDMNNOGIGDIMIZ-YUTCNCBUSA-N 1 2 363.480 -1.240 20 0 FAADLO C[C@H](C(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@@H]1O)C1CCOCC1 ZINC001221196613 793850248 /nfs/dbraw/zinc/85/02/48/793850248.db2.gz LDMNNOGIGDIMIZ-YUTCNCBUSA-N 1 2 363.480 -1.240 20 0 FAADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)[C@@H](O)C1 ZINC001221198293 793850891 /nfs/dbraw/zinc/85/08/91/793850891.db2.gz BBXGDIZLDYVYQG-TUAOUCFPSA-N 1 2 354.407 -1.933 20 0 FAADLO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)[C@@H](O)C1 ZINC001221198293 793850884 /nfs/dbraw/zinc/85/08/84/793850884.db2.gz BBXGDIZLDYVYQG-TUAOUCFPSA-N 1 2 354.407 -1.933 20 0 FAADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)[C@@H](O)C1 ZINC001221198294 793850463 /nfs/dbraw/zinc/85/04/63/793850463.db2.gz BBXGDIZLDYVYQG-UTUOFQBUSA-N 1 2 354.407 -1.933 20 0 FAADLO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)[C@@H](O)C1 ZINC001221198294 793850452 /nfs/dbraw/zinc/85/04/52/793850452.db2.gz BBXGDIZLDYVYQG-UTUOFQBUSA-N 1 2 354.407 -1.933 20 0 FAADLO CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)[C@@H](O)C1 ZINC001221198849 793851932 /nfs/dbraw/zinc/85/19/32/793851932.db2.gz LETJJHRGTLPZIS-TUAOUCFPSA-N 1 2 354.407 -1.931 20 0 FAADLO CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)[C@@H](O)C1 ZINC001221198849 793851921 /nfs/dbraw/zinc/85/19/21/793851921.db2.gz LETJJHRGTLPZIS-TUAOUCFPSA-N 1 2 354.407 -1.931 20 0 FAADLO CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)[C@@H](O)C1 ZINC001221198851 793851534 /nfs/dbraw/zinc/85/15/34/793851534.db2.gz LETJJHRGTLPZIS-UTUOFQBUSA-N 1 2 354.407 -1.931 20 0 FAADLO 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CN1CCOC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001221484715 793859951 /nfs/dbraw/zinc/85/99/51/793859951.db2.gz YNTQDPMEXYMGIL-MCIONIFRSA-N 1 2 360.480 -1.601 20 0 FAADLO CN1CCOC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001221484716 793859444 /nfs/dbraw/zinc/85/94/44/793859444.db2.gz YNTQDPMEXYMGIL-MGPQQGTHSA-N 1 2 360.480 -1.601 20 0 FAADLO CN1CCOC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001221484716 793859438 /nfs/dbraw/zinc/85/94/38/793859438.db2.gz YNTQDPMEXYMGIL-MGPQQGTHSA-N 1 2 360.480 -1.601 20 0 FAADLO C[C@H](C(=O)N1C[C@H]2CC[N@@H+](CCNS(C)(=O)=O)C[C@H]21)n1cncn1 ZINC001221484747 793858995 /nfs/dbraw/zinc/85/89/95/793858995.db2.gz ZHHLAPZJJMYTTR-JHJVBQTASA-N 1 2 356.452 -1.079 20 0 FAADLO C[C@H](C(=O)N1C[C@H]2CC[N@H+](CCNS(C)(=O)=O)C[C@H]21)n1cncn1 ZINC001221484747 793858992 /nfs/dbraw/zinc/85/89/92/793858992.db2.gz ZHHLAPZJJMYTTR-JHJVBQTASA-N 1 2 356.452 -1.079 20 0 FAADLO C[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CCNS(C)(=O)=O)C[C@H]21)n1cncn1 ZINC001221484748 793859667 /nfs/dbraw/zinc/85/96/67/793859667.db2.gz ZHHLAPZJJMYTTR-YNEHKIRRSA-N 1 2 356.452 -1.079 20 0 FAADLO C[C@@H](C(=O)N1C[C@H]2CC[N@H+](CCNS(C)(=O)=O)C[C@H]21)n1cncn1 ZINC001221484748 793859666 /nfs/dbraw/zinc/85/96/66/793859666.db2.gz ZHHLAPZJJMYTTR-YNEHKIRRSA-N 1 2 356.452 -1.079 20 0 FAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCOCC3)[C@@H]2C1 ZINC001221487109 793859008 /nfs/dbraw/zinc/85/90/08/793859008.db2.gz ITVBMLZZPFWXFX-CHWSQXEVSA-N 1 2 353.423 -1.693 20 0 FAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCOCC3)[C@@H]2C1 ZINC001221487109 793859002 /nfs/dbraw/zinc/85/90/02/793859002.db2.gz ITVBMLZZPFWXFX-CHWSQXEVSA-N 1 2 353.423 -1.693 20 0 FAADLO CS(=O)(=O)CCC[N@H+]1CC[C@@H]2CN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001221488384 793860097 /nfs/dbraw/zinc/86/00/97/793860097.db2.gz FXRJUHHAEXZQGY-VXGBXAGGSA-N 1 2 357.436 -1.049 20 0 FAADLO CS(=O)(=O)CCC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001221488384 793860085 /nfs/dbraw/zinc/86/00/85/793860085.db2.gz FXRJUHHAEXZQGY-VXGBXAGGSA-N 1 2 357.436 -1.049 20 0 FAADLO Cn1ncc(C(=O)N2C[C@H]3CC[N@@H+](CCNS(C)(=O)=O)C[C@H]32)c1N ZINC001221490125 793860470 /nfs/dbraw/zinc/86/04/70/793860470.db2.gz QZBCKAVCZQHTAC-ZYHUDNBSSA-N 1 2 356.452 -1.302 20 0 FAADLO Cn1ncc(C(=O)N2C[C@H]3CC[N@H+](CCNS(C)(=O)=O)C[C@H]32)c1N ZINC001221490125 793860467 /nfs/dbraw/zinc/86/04/67/793860467.db2.gz QZBCKAVCZQHTAC-ZYHUDNBSSA-N 1 2 356.452 -1.302 20 0 FAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001221494078 793861577 /nfs/dbraw/zinc/86/15/77/793861577.db2.gz PEHWTXWXPDAKGF-NXEZZACHSA-N 1 2 351.367 -2.028 20 0 FAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001221494078 793861576 /nfs/dbraw/zinc/86/15/76/793861576.db2.gz PEHWTXWXPDAKGF-NXEZZACHSA-N 1 2 351.367 -2.028 20 0 FAADLO CCNC(=O)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(=O)NCC)C[C@H]21 ZINC001221496109 793861236 /nfs/dbraw/zinc/86/12/36/793861236.db2.gz IPKAZEKGHLZICE-VXGBXAGGSA-N 1 2 353.423 -1.109 20 0 FAADLO CCNC(=O)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC(=O)NCC)C[C@H]21 ZINC001221496109 793861226 /nfs/dbraw/zinc/86/12/26/793861226.db2.gz IPKAZEKGHLZICE-VXGBXAGGSA-N 1 2 353.423 -1.109 20 0 FAADLO CNC(=O)CCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001221498349 793860643 /nfs/dbraw/zinc/86/06/43/793860643.db2.gz BXDQHJXEKKRTFU-VXGBXAGGSA-N 1 2 353.423 -1.109 20 0 FAADLO CNC(=O)CCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001221498349 793860638 /nfs/dbraw/zinc/86/06/38/793860638.db2.gz BXDQHJXEKKRTFU-VXGBXAGGSA-N 1 2 353.423 -1.109 20 0 FAADLO CCOCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)NC(N)=O)[C@@H]2C1 ZINC001221503095 793861646 /nfs/dbraw/zinc/86/16/46/793861646.db2.gz CCNDHTFOJCEFDP-YNEHKIRRSA-N 1 2 355.439 -1.271 20 0 FAADLO CCOCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)NC(N)=O)[C@@H]2C1 ZINC001221503095 793861638 /nfs/dbraw/zinc/86/16/38/793861638.db2.gz 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ZINC001221505954 793861765 /nfs/dbraw/zinc/86/17/65/793861765.db2.gz IYHCRNFWPRJFGD-DGCLKSJQSA-N 1 2 351.407 -1.547 20 0 FAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CN(C(C)=O)C3)[C@@H]2C1 ZINC001221505954 793861756 /nfs/dbraw/zinc/86/17/56/793861756.db2.gz IYHCRNFWPRJFGD-DGCLKSJQSA-N 1 2 351.407 -1.547 20 0 FAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(=O)n(C)o3)[C@@H]2C1 ZINC001221506162 793861451 /nfs/dbraw/zinc/86/14/51/793861451.db2.gz OTQSCKOKPJYYRD-NXEZZACHSA-N 1 2 351.363 -1.420 20 0 FAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(=O)n(C)o3)[C@@H]2C1 ZINC001221506162 793861440 /nfs/dbraw/zinc/86/14/40/793861440.db2.gz OTQSCKOKPJYYRD-NXEZZACHSA-N 1 2 351.363 -1.420 20 0 FAADLO CNC(=O)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(=O)NC3CC3)C[C@H]21 ZINC001221506250 793861851 /nfs/dbraw/zinc/86/18/51/793861851.db2.gz SNWJQWCPRBEBJR-ZYHUDNBSSA-N 1 2 351.407 -1.357 20 0 FAADLO CNC(=O)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC(=O)NC3CC3)C[C@H]21 ZINC001221506250 793861838 /nfs/dbraw/zinc/86/18/38/793861838.db2.gz SNWJQWCPRBEBJR-ZYHUDNBSSA-N 1 2 351.407 -1.357 20 0 FAADLO Cn1oc(C(=O)N2C[C@H]3CC[N@@H+](CCNS(C)(=O)=O)C[C@H]32)cc1=O ZINC001221506360 793861710 /nfs/dbraw/zinc/86/17/10/793861710.db2.gz YWSMIZVQQNLPCR-GHMZBOCLSA-N 1 2 358.420 -1.326 20 0 FAADLO Cn1oc(C(=O)N2C[C@H]3CC[N@H+](CCNS(C)(=O)=O)C[C@H]32)cc1=O ZINC001221506360 793861701 /nfs/dbraw/zinc/86/17/01/793861701.db2.gz YWSMIZVQQNLPCR-GHMZBOCLSA-N 1 2 358.420 -1.326 20 0 FAADLO CNC(=O)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC[C@@H]3CCOC3)C[C@H]21 ZINC001221508012 793861418 /nfs/dbraw/zinc/86/14/18/793861418.db2.gz YWRYLXBKBUXCGA-BFHYXJOUSA-N 1 2 352.435 -1.192 20 0 FAADLO CNC(=O)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC[C@@H]3CCOC3)C[C@H]21 ZINC001221508012 793861413 /nfs/dbraw/zinc/86/14/13/793861413.db2.gz YWRYLXBKBUXCGA-BFHYXJOUSA-N 1 2 352.435 -1.192 20 0 FAADLO CNC(=O)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC[C@H]3CCOC3)C[C@H]21 ZINC001221508013 793861043 /nfs/dbraw/zinc/86/10/43/793861043.db2.gz YWRYLXBKBUXCGA-MGPQQGTHSA-N 1 2 352.435 -1.192 20 0 FAADLO CNC(=O)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC[C@H]3CCOC3)C[C@H]21 ZINC001221508013 793861039 /nfs/dbraw/zinc/86/10/39/793861039.db2.gz YWRYLXBKBUXCGA-MGPQQGTHSA-N 1 2 352.435 -1.192 20 0 FAADLO CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)NC(N)=O)[C@@H]2C1 ZINC001221508297 793860880 /nfs/dbraw/zinc/86/08/80/793860880.db2.gz PGFURXHBZZBBAR-HBNTYKKESA-N 1 2 354.411 -1.578 20 0 FAADLO CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)NC(N)=O)[C@@H]2C1 ZINC001221508297 793860873 /nfs/dbraw/zinc/86/08/73/793860873.db2.gz PGFURXHBZZBBAR-HBNTYKKESA-N 1 2 354.411 -1.578 20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)NC(N)=O)[C@@H]2C1 ZINC001221508430 793861261 /nfs/dbraw/zinc/86/12/61/793861261.db2.gz VIOGUAULAYVCLM-QJPTWQEYSA-N 1 2 361.468 -1.485 20 0 FAADLO CCS(=O)(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)NC(N)=O)[C@@H]2C1 ZINC001221508430 793861250 /nfs/dbraw/zinc/86/12/50/793861250.db2.gz VIOGUAULAYVCLM-QJPTWQEYSA-N 1 2 361.468 -1.485 20 0 FAADLO COCCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)NC(N)=O)[C@@H]2C1 ZINC001221508522 793861014 /nfs/dbraw/zinc/86/10/14/793861014.db2.gz XQEMOPWUZPCCCO-YNEHKIRRSA-N 1 2 355.439 -1.271 20 0 FAADLO COCCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)NC(N)=O)[C@@H]2C1 ZINC001221508522 793861005 /nfs/dbraw/zinc/86/10/05/793861005.db2.gz XQEMOPWUZPCCCO-YNEHKIRRSA-N 1 2 355.439 -1.271 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3cc(=O)n(C)o3)[C@@H]2C1 ZINC001221511203 793862709 /nfs/dbraw/zinc/86/27/09/793862709.db2.gz SQPCRMXVWCGGBF-IVZWLZJFSA-N 1 2 351.363 -1.292 20 0 FAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(=O)n(C)o3)[C@@H]2C1 ZINC001221511203 793862703 /nfs/dbraw/zinc/86/27/03/793862703.db2.gz SQPCRMXVWCGGBF-IVZWLZJFSA-N 1 2 351.363 -1.292 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3cc(=O)n(C)o3)[C@@H]2C1 ZINC001221511204 793862248 /nfs/dbraw/zinc/86/22/48/793862248.db2.gz SQPCRMXVWCGGBF-OPRDCNLKSA-N 1 2 351.363 -1.292 20 0 FAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(=O)n(C)o3)[C@@H]2C1 ZINC001221511204 793862243 /nfs/dbraw/zinc/86/22/43/793862243.db2.gz SQPCRMXVWCGGBF-OPRDCNLKSA-N 1 2 351.363 -1.292 20 0 FAADLO CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3COC(=O)N3)[C@@H]2C1 ZINC001221517497 793862225 /nfs/dbraw/zinc/86/22/25/793862225.db2.gz AMBQDJDQVLKQHI-GMTAPVOTSA-N 1 2 353.379 -1.527 20 0 FAADLO CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3COC(=O)N3)[C@@H]2C1 ZINC001221517497 793862222 /nfs/dbraw/zinc/86/22/22/793862222.db2.gz AMBQDJDQVLKQHI-GMTAPVOTSA-N 1 2 353.379 -1.527 20 0 FAADLO CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COC(=O)N3)[C@@H]2C1 ZINC001221517498 793862268 /nfs/dbraw/zinc/86/22/68/793862268.db2.gz AMBQDJDQVLKQHI-OUAUKWLOSA-N 1 2 353.379 -1.527 20 0 FAADLO CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COC(=O)N3)[C@@H]2C1 ZINC001221517498 793862264 /nfs/dbraw/zinc/86/22/64/793862264.db2.gz AMBQDJDQVLKQHI-OUAUKWLOSA-N 1 2 353.379 -1.527 20 0 FAADLO CCOCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COC(=O)N3)[C@@H]2C1 ZINC001221517683 793862492 /nfs/dbraw/zinc/86/24/92/793862492.db2.gz HGRZHFNBLAIFLC-FRRDWIJNSA-N 1 2 354.407 -1.220 20 0 FAADLO CCOCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COC(=O)N3)[C@@H]2C1 ZINC001221517683 793862484 /nfs/dbraw/zinc/86/24/84/793862484.db2.gz HGRZHFNBLAIFLC-FRRDWIJNSA-N 1 2 354.407 -1.220 20 0 FAADLO CCOCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3COC(=O)N3)[C@@H]2C1 ZINC001221517684 793862985 /nfs/dbraw/zinc/86/29/85/793862985.db2.gz HGRZHFNBLAIFLC-JHJVBQTASA-N 1 2 354.407 -1.220 20 0 FAADLO CCOCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3COC(=O)N3)[C@@H]2C1 ZINC001221517684 793862977 /nfs/dbraw/zinc/86/29/77/793862977.db2.gz HGRZHFNBLAIFLC-JHJVBQTASA-N 1 2 354.407 -1.220 20 0 FAADLO COCCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COC(=O)N3)[C@@H]2C1 ZINC001221517728 793862053 /nfs/dbraw/zinc/86/20/53/793862053.db2.gz IUJWLUIIQXFNDE-FRRDWIJNSA-N 1 2 354.407 -1.220 20 0 FAADLO COCCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COC(=O)N3)[C@@H]2C1 ZINC001221517728 793862049 /nfs/dbraw/zinc/86/20/49/793862049.db2.gz IUJWLUIIQXFNDE-FRRDWIJNSA-N 1 2 354.407 -1.220 20 0 FAADLO COCCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3COC(=O)N3)[C@@H]2C1 ZINC001221517729 793862776 /nfs/dbraw/zinc/86/27/76/793862776.db2.gz IUJWLUIIQXFNDE-JHJVBQTASA-N 1 2 354.407 -1.220 20 0 FAADLO COCCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3COC(=O)N3)[C@@H]2C1 ZINC001221517729 793862770 /nfs/dbraw/zinc/86/27/70/793862770.db2.gz IUJWLUIIQXFNDE-JHJVBQTASA-N 1 2 354.407 -1.220 20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)c3cnnn3C)[C@@H]2C1 ZINC001221519278 793862685 /nfs/dbraw/zinc/86/26/85/793862685.db2.gz IVAHEHLLPCKTSZ-DGCLKSJQSA-N 1 2 356.452 -1.099 20 0 FAADLO CCS(=O)(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnnn3C)[C@@H]2C1 ZINC001221519278 793862679 /nfs/dbraw/zinc/86/26/79/793862679.db2.gz IVAHEHLLPCKTSZ-DGCLKSJQSA-N 1 2 356.452 -1.099 20 0 FAADLO CN(CC[N@H+]1CC[C@@H]2CN(C(=O)c3cnnn3C)[C@@H]2C1)S(C)(=O)=O ZINC001221519431 793863027 /nfs/dbraw/zinc/86/30/27/793863027.db2.gz OWSBRIDYWKQOOU-DGCLKSJQSA-N 1 2 356.452 -1.147 20 0 FAADLO CN(CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnnn3C)[C@@H]2C1)S(C)(=O)=O ZINC001221519431 793863021 /nfs/dbraw/zinc/86/30/21/793863021.db2.gz OWSBRIDYWKQOOU-DGCLKSJQSA-N 1 2 356.452 -1.147 20 0 FAADLO CN(CC[N@H+]1CC[C@@H]2CN(C(=O)c3cn(C)nn3)[C@@H]2C1)S(C)(=O)=O ZINC001221521387 793863251 /nfs/dbraw/zinc/86/32/51/793863251.db2.gz LVTLYWDDLJGOMX-DGCLKSJQSA-N 1 2 356.452 -1.147 20 0 FAADLO CN(CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(C)nn3)[C@@H]2C1)S(C)(=O)=O ZINC001221521387 793863243 /nfs/dbraw/zinc/86/32/43/793863243.db2.gz LVTLYWDDLJGOMX-DGCLKSJQSA-N 1 2 356.452 -1.147 20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COC(=O)N3)[C@@H]2C1 ZINC001221521416 793862960 /nfs/dbraw/zinc/86/29/60/793862960.db2.gz MXGIOJFJFRDSRF-GRYCIOLGSA-N 1 2 360.436 -1.433 20 0 FAADLO CCS(=O)(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COC(=O)N3)[C@@H]2C1 ZINC001221521416 793862954 /nfs/dbraw/zinc/86/29/54/793862954.db2.gz MXGIOJFJFRDSRF-GRYCIOLGSA-N 1 2 360.436 -1.433 20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3COC(=O)N3)[C@@H]2C1 ZINC001221521417 793863052 /nfs/dbraw/zinc/86/30/52/793863052.db2.gz MXGIOJFJFRDSRF-IJLUTSLNSA-N 1 2 360.436 -1.433 20 0 FAADLO CCS(=O)(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3COC(=O)N3)[C@@H]2C1 ZINC001221521417 793863049 /nfs/dbraw/zinc/86/30/49/793863049.db2.gz MXGIOJFJFRDSRF-IJLUTSLNSA-N 1 2 360.436 -1.433 20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)c3cn(C)nn3)[C@@H]2C1 ZINC001221521767 793862096 /nfs/dbraw/zinc/86/20/96/793862096.db2.gz ZSPBHXIAYCVEDT-DGCLKSJQSA-N 1 2 356.452 -1.099 20 0 FAADLO CCS(=O)(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(C)nn3)[C@@H]2C1 ZINC001221521767 793862090 /nfs/dbraw/zinc/86/20/90/793862090.db2.gz ZSPBHXIAYCVEDT-DGCLKSJQSA-N 1 2 356.452 -1.099 20 0 FAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3nnc(C)o3)[C@@H]2C1 ZINC001221522912 793862469 /nfs/dbraw/zinc/86/24/69/793862469.db2.gz NPAARGVSSVNQIT-GHMZBOCLSA-N 1 2 350.379 -1.091 20 0 FAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3nnc(C)o3)[C@@H]2C1 ZINC001221522912 793862464 /nfs/dbraw/zinc/86/24/64/793862464.db2.gz NPAARGVSSVNQIT-GHMZBOCLSA-N 1 2 350.379 -1.091 20 0 FAADLO CN(CC[N@H+]1CC[C@@H]2CN(C(=O)c3ncn(C)n3)[C@@H]2C1)S(C)(=O)=O ZINC001221523164 793862190 /nfs/dbraw/zinc/86/21/90/793862190.db2.gz WUAHXSZWKFHMFV-VXGBXAGGSA-N 1 2 356.452 -1.147 20 0 FAADLO CN(CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ncn(C)n3)[C@@H]2C1)S(C)(=O)=O ZINC001221523164 793862188 /nfs/dbraw/zinc/86/21/88/793862188.db2.gz WUAHXSZWKFHMFV-VXGBXAGGSA-N 1 2 356.452 -1.147 20 0 FAADLO CCS(=O)(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)c3ncn(C)n3)[C@@H]2C1 ZINC001221523187 793863197 /nfs/dbraw/zinc/86/31/97/793863197.db2.gz XCKUKYYXYZDBGQ-VXGBXAGGSA-N 1 2 356.452 -1.099 20 0 FAADLO CCS(=O)(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ncn(C)n3)[C@@H]2C1 ZINC001221523187 793863186 /nfs/dbraw/zinc/86/31/86/793863186.db2.gz XCKUKYYXYZDBGQ-VXGBXAGGSA-N 1 2 356.452 -1.099 20 0 FAADLO CCn1nncc1C(=O)N1C[C@H]2CC[N@@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001221524408 793863225 /nfs/dbraw/zinc/86/32/25/793863225.db2.gz OAZOFKACJQJBLZ-DGCLKSJQSA-N 1 2 356.452 -1.007 20 0 FAADLO CCn1nncc1C(=O)N1C[C@H]2CC[N@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001221524408 793863218 /nfs/dbraw/zinc/86/32/18/793863218.db2.gz OAZOFKACJQJBLZ-DGCLKSJQSA-N 1 2 356.452 -1.007 20 0 FAADLO CCn1ncc(C(=O)N2C[C@H]3CC[N@@H+](CCNS(C)(=O)=O)C[C@H]32)n1 ZINC001221524527 793863311 /nfs/dbraw/zinc/86/33/11/793863311.db2.gz QXMJJHZTBUXHIP-DGCLKSJQSA-N 1 2 356.452 -1.007 20 0 FAADLO CCn1ncc(C(=O)N2C[C@H]3CC[N@H+](CCNS(C)(=O)=O)C[C@H]32)n1 ZINC001221524527 793863299 /nfs/dbraw/zinc/86/32/99/793863299.db2.gz QXMJJHZTBUXHIP-DGCLKSJQSA-N 1 2 356.452 -1.007 20 0 FAADLO CNC(=O)NCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001221524750 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ZINC001252678786 793985381 /nfs/dbraw/zinc/98/53/81/793985381.db2.gz NFOIYWCQPPJMNL-LBPRGKRZSA-N 1 2 351.407 -1.321 20 0 FAADLO C[NH+](C)CCN(C(=O)CCn1cc[nH]c(=O)c1=O)[C@@H]1CCS(=O)(=O)C1 ZINC001252878013 793986530 /nfs/dbraw/zinc/98/65/30/793986530.db2.gz ZVNWFCNGAZSQMK-GFCCVEGCSA-N 1 2 372.447 -1.496 20 0 FAADLO C[NH+](C)CCN(C(=O)CCn1cc[nH]c(=O)c1=O)[C@H]1CCS(=O)(=O)C1 ZINC001252878014 793986487 /nfs/dbraw/zinc/98/64/87/793986487.db2.gz ZVNWFCNGAZSQMK-LBPRGKRZSA-N 1 2 372.447 -1.496 20 0 FAADLO CC(=O)NCC(=O)NCC(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC001252991298 793987060 /nfs/dbraw/zinc/98/70/60/793987060.db2.gz QTIYTFZXIMDAPK-AWEZNQCLSA-N 1 2 356.423 -1.812 20 0 FAADLO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC001252991299 793987430 /nfs/dbraw/zinc/98/74/30/793987430.db2.gz QTIYTFZXIMDAPK-CQSZACIVSA-N 1 2 356.423 -1.812 20 0 FAADLO COCCNc1nc(N2CC[C@@H](CO)C2)[nH+]c(N2CC[C@@H](CO)C2)n1 ZINC001253352165 793989121 /nfs/dbraw/zinc/98/91/21/793989121.db2.gz 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ZINC001254117162 793995987 /nfs/dbraw/zinc/99/59/87/793995987.db2.gz WUGAICYLLFDFPS-UHFFFAOYSA-N 1 2 359.427 -1.768 20 0 FAADLO C[NH+](C)Cc1cn([C@H]2[C@H](n3ccc(N)nc3=O)O[C@H](CO)[C@H]2O)nn1 ZINC001254152369 793996328 /nfs/dbraw/zinc/99/63/28/793996328.db2.gz CTRWQOYVCSETHW-OJAKKHQRSA-N 1 2 351.367 -1.787 20 0 FAADLO O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH2+][C@@H]2CCS(=O)(=O)C2)c(=O)[nH]1 ZINC001254320520 793996924 /nfs/dbraw/zinc/99/69/24/793996924.db2.gz CJLGELJARCOFFD-NLMQRWQWSA-N 1 2 361.376 -2.655 20 0 FAADLO O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH2+][C@H]2CCS(=O)(=O)C2)c(=O)[nH]1 ZINC001254320521 793996897 /nfs/dbraw/zinc/99/68/97/793996897.db2.gz CJLGELJARCOFFD-RULNCXCMSA-N 1 2 361.376 -2.655 20 0 FAADLO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)[NH2+][C@H]1CCS(=O)(=O)C1 ZINC001254328420 793997894 /nfs/dbraw/zinc/99/78/94/793997894.db2.gz QWVDXZMXERBDNX-IHRRRGAJSA-N 1 2 369.443 -1.663 20 0 FAADLO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC001254328421 793997531 /nfs/dbraw/zinc/99/75/31/793997531.db2.gz QWVDXZMXERBDNX-RDBSUJKOSA-N 1 2 369.443 -1.663 20 0 FAADLO C[N@H+]1CCC[C@@H]([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)CC1 ZINC001254509651 793998565 /nfs/dbraw/zinc/99/85/65/793998565.db2.gz HRRJXBITRYHYQG-GRRRKWKPSA-N 1 2 370.424 -2.313 20 0 FAADLO C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)CC1 ZINC001254509651 793998559 /nfs/dbraw/zinc/99/85/59/793998559.db2.gz HRRJXBITRYHYQG-GRRRKWKPSA-N 1 2 370.424 -2.313 20 0 FAADLO C[N@H+]1CCC[C@@H]([NH2+][C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)CC1 ZINC001254509654 793998066 /nfs/dbraw/zinc/99/80/66/793998066.db2.gz HRRJXBITRYHYQG-PCEBWVJKSA-N 1 2 370.424 -2.313 20 0 FAADLO C[N@@H+]1CCC[C@@H]([NH2+][C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)CC1 ZINC001254509654 793998057 /nfs/dbraw/zinc/99/80/57/793998057.db2.gz HRRJXBITRYHYQG-PCEBWVJKSA-N 1 2 370.424 -2.313 20 0 FAADLO C[N@H+]1CCC[C@H]([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)CC1 ZINC001254509655 793998662 /nfs/dbraw/zinc/99/86/62/793998662.db2.gz HRRJXBITRYHYQG-TXWLSFLZSA-N 1 2 370.424 -2.313 20 0 FAADLO C[N@@H+]1CCC[C@H]([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)CC1 ZINC001254509655 793998657 /nfs/dbraw/zinc/99/86/57/793998657.db2.gz HRRJXBITRYHYQG-TXWLSFLZSA-N 1 2 370.424 -2.313 20 0 FAADLO C[N@H+]1CCC[C@H]([NH2+][C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)CC1 ZINC001254509656 793998689 /nfs/dbraw/zinc/99/86/89/793998689.db2.gz HRRJXBITRYHYQG-ZRFFIENRSA-N 1 2 370.424 -2.313 20 0 FAADLO C[N@@H+]1CCC[C@H]([NH2+][C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)CC1 ZINC001254509656 793998686 /nfs/dbraw/zinc/99/86/86/793998686.db2.gz HRRJXBITRYHYQG-ZRFFIENRSA-N 1 2 370.424 -2.313 20 0 FAADLO NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CN[C@H]1CC2CC[NH+](CC2)C1 ZINC001254851737 794001589 /nfs/dbraw/zinc/00/15/89/794001589.db2.gz OFOGLBFPFGRADG-KBPBESRZSA-N 1 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Cn1c(C[NH+]2CCC(N3CCS(=O)(=O)CC3)CC2)cc(=O)n(C)c1=O ZINC001254970463 794001627 /nfs/dbraw/zinc/00/16/27/794001627.db2.gz GAORUCADVQBWFP-UHFFFAOYSA-N 1 2 370.475 -1.221 20 0 FAADLO C[N@H+]1CC[C@H](N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)C1 ZINC001255427693 794004670 /nfs/dbraw/zinc/00/46/70/794004670.db2.gz UVVRWDRVTJRROX-QEJZJMRPSA-N 1 2 350.419 -1.441 20 0 FAADLO C[N@@H+]1CC[C@H](N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)C1 ZINC001255427693 794004664 /nfs/dbraw/zinc/00/46/64/794004664.db2.gz UVVRWDRVTJRROX-QEJZJMRPSA-N 1 2 350.419 -1.441 20 0 FAADLO C[N@H+]1CC[C@@H](N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)C1 ZINC001255427699 794004739 /nfs/dbraw/zinc/00/47/39/794004739.db2.gz UVVRWDRVTJRROX-SNPRPXQTSA-N 1 2 350.419 -1.441 20 0 FAADLO C[N@@H+]1CC[C@@H](N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)C1 ZINC001255427699 794004727 /nfs/dbraw/zinc/00/47/27/794004727.db2.gz UVVRWDRVTJRROX-SNPRPXQTSA-N 1 2 350.419 -1.441 20 0 FAADLO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001255806752 794006738 /nfs/dbraw/zinc/00/67/38/794006738.db2.gz HRMBFJAVVLRNCW-ARYYTZDLSA-N 1 2 361.416 -1.762 20 0 FAADLO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001255806753 794007049 /nfs/dbraw/zinc/00/70/49/794007049.db2.gz HRMBFJAVVLRNCW-ICLPOSBMSA-N 1 2 361.416 -1.762 20 0 FAADLO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001255806754 794007147 /nfs/dbraw/zinc/00/71/47/794007147.db2.gz HRMBFJAVVLRNCW-NUPQKNFTSA-N 1 2 361.416 -1.762 20 0 FAADLO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001255806755 794006919 /nfs/dbraw/zinc/00/69/19/794006919.db2.gz HRMBFJAVVLRNCW-PDAWATHFSA-N 1 2 361.416 -1.762 20 0 FAADLO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CC(=O)NCC(=O)NCC(N)=O ZINC001255814090 794007125 /nfs/dbraw/zinc/00/71/25/794007125.db2.gz WWBKMXCKSPEGGI-LLVKDONJSA-N 1 2 370.431 -1.844 20 0 FAADLO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CC(=O)NCC(=O)NCC(N)=O ZINC001255814091 794007086 /nfs/dbraw/zinc/00/70/86/794007086.db2.gz WWBKMXCKSPEGGI-NSHDSACASA-N 1 2 370.431 -1.844 20 0 FAADLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NCc1n[nH]c(CS(C)(=O)=O)n1 ZINC001255842709 794007756 /nfs/dbraw/zinc/00/77/56/794007756.db2.gz KUESDSRTDYGHOB-GHMZBOCLSA-N 1 2 374.467 -1.054 20 0 FAADLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCc1n[nH]c(CS(C)(=O)=O)n1 ZINC001255842709 794007743 /nfs/dbraw/zinc/00/77/43/794007743.db2.gz KUESDSRTDYGHOB-GHMZBOCLSA-N 1 2 374.467 -1.054 20 0 FAADLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NCc1nc(CS(C)(=O)=O)n[nH]1 ZINC001255842709 794007735 /nfs/dbraw/zinc/00/77/35/794007735.db2.gz KUESDSRTDYGHOB-GHMZBOCLSA-N 1 2 374.467 -1.054 20 0 FAADLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCc1nc(CS(C)(=O)=O)n[nH]1 ZINC001255842709 794007728 /nfs/dbraw/zinc/00/77/28/794007728.db2.gz KUESDSRTDYGHOB-GHMZBOCLSA-N 1 2 374.467 -1.054 20 0 FAADLO C[C@@H]1CN(C(=O)NCc2n[nH]c(CS(C)(=O)=O)n2)[C@@H](C)C[N@H+]1CCO ZINC001255842710 794008276 /nfs/dbraw/zinc/00/82/76/794008276.db2.gz KUESDSRTDYGHOB-MNOVXSKESA-N 1 2 374.467 -1.054 20 0 FAADLO C[C@@H]1CN(C(=O)NCc2n[nH]c(CS(C)(=O)=O)n2)[C@@H](C)C[N@@H+]1CCO ZINC001255842710 794008267 /nfs/dbraw/zinc/00/82/67/794008267.db2.gz KUESDSRTDYGHOB-MNOVXSKESA-N 1 2 374.467 -1.054 20 0 FAADLO C[C@@H]1CN(C(=O)NCc2nc(CS(C)(=O)=O)n[nH]2)[C@@H](C)C[N@H+]1CCO ZINC001255842710 794008257 /nfs/dbraw/zinc/00/82/57/794008257.db2.gz KUESDSRTDYGHOB-MNOVXSKESA-N 1 2 374.467 -1.054 20 0 FAADLO C[C@@H]1CN(C(=O)NCc2nc(CS(C)(=O)=O)n[nH]2)[C@@H](C)C[N@@H+]1CCO ZINC001255842710 794008253 /nfs/dbraw/zinc/00/82/53/794008253.db2.gz KUESDSRTDYGHOB-MNOVXSKESA-N 1 2 374.467 -1.054 20 0 FAADLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCc1n[nH]c(CS(C)(=O)=O)n1 ZINC001255842711 794007653 /nfs/dbraw/zinc/00/76/53/794007653.db2.gz KUESDSRTDYGHOB-QWRGUYRKSA-N 1 2 374.467 -1.054 20 0 FAADLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCc1n[nH]c(CS(C)(=O)=O)n1 ZINC001255842711 794007646 /nfs/dbraw/zinc/00/76/46/794007646.db2.gz KUESDSRTDYGHOB-QWRGUYRKSA-N 1 2 374.467 -1.054 20 0 FAADLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCc1nc(CS(C)(=O)=O)n[nH]1 ZINC001255842711 794007636 /nfs/dbraw/zinc/00/76/36/794007636.db2.gz KUESDSRTDYGHOB-QWRGUYRKSA-N 1 2 374.467 -1.054 20 0 FAADLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCc1nc(CS(C)(=O)=O)n[nH]1 ZINC001255842711 794007627 /nfs/dbraw/zinc/00/76/27/794007627.db2.gz KUESDSRTDYGHOB-QWRGUYRKSA-N 1 2 374.467 -1.054 20 0 FAADLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCc1n[nH]c(CS(C)(=O)=O)n1 ZINC001255842712 794008039 /nfs/dbraw/zinc/00/80/39/794008039.db2.gz KUESDSRTDYGHOB-WDEREUQCSA-N 1 2 374.467 -1.054 20 0 FAADLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCc1n[nH]c(CS(C)(=O)=O)n1 ZINC001255842712 794008028 /nfs/dbraw/zinc/00/80/28/794008028.db2.gz KUESDSRTDYGHOB-WDEREUQCSA-N 1 2 374.467 -1.054 20 0 FAADLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCc1nc(CS(C)(=O)=O)n[nH]1 ZINC001255842712 794008022 /nfs/dbraw/zinc/00/80/22/794008022.db2.gz KUESDSRTDYGHOB-WDEREUQCSA-N 1 2 374.467 -1.054 20 0 FAADLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCc1nc(CS(C)(=O)=O)n[nH]1 ZINC001255842712 794008011 /nfs/dbraw/zinc/00/80/11/794008011.db2.gz KUESDSRTDYGHOB-WDEREUQCSA-N 1 2 374.467 -1.054 20 0 FAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC001256268998 794009369 /nfs/dbraw/zinc/00/93/69/794009369.db2.gz DFHSYSNDPCROMR-LLVKDONJSA-N 1 2 360.436 -1.562 20 0 FAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC001256268999 794009512 /nfs/dbraw/zinc/00/95/12/794009512.db2.gz DFHSYSNDPCROMR-NSHDSACASA-N 1 2 360.436 -1.562 20 0 FAADLO O=C(NCCn1cc[nH+]c1)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC001256873573 794011857 /nfs/dbraw/zinc/01/18/57/794011857.db2.gz IUPJVMHBWDEYDD-UHFFFAOYSA-N 1 2 359.408 -2.223 20 0 FAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCc1cccnc1 ZINC001256966782 794012374 /nfs/dbraw/zinc/01/23/74/794012374.db2.gz GAFSWCVRNPJTFC-HNNXBMFYSA-N 1 2 350.419 -1.108 20 0 FAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCc1cccnc1 ZINC001256966783 794012550 /nfs/dbraw/zinc/01/25/50/794012550.db2.gz GAFSWCVRNPJTFC-OAHLLOKOSA-N 1 2 350.419 -1.108 20 0 FAADLO CS(=O)(=O)NC1CC(NC(=O)C(=O)NCCCCn2cc[nH+]c2)C1 ZINC001257332068 794014468 /nfs/dbraw/zinc/01/44/68/794014468.db2.gz LTYXTCCKFQRHOI-UHFFFAOYSA-N 1 2 357.436 -1.024 20 0 FAADLO COCC[NH+]1CCN(C(=O)C(=O)NCCS(=O)(=O)NC(C)C)CC1 ZINC001257581343 794016633 /nfs/dbraw/zinc/01/66/33/794016633.db2.gz MWSXCDMVNYNGOR-UHFFFAOYSA-N 1 2 364.468 -1.779 20 0 FAADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2CO)CC1 ZINC001258273412 794021351 /nfs/dbraw/zinc/02/13/51/794021351.db2.gz AJHXOAPJKBWRDD-CYBMUJFWSA-N 1 2 361.464 -1.405 20 0 FAADLO CCCN(CCO)C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001258273427 794021570 /nfs/dbraw/zinc/02/15/70/794021570.db2.gz APWVELJBOKCJCQ-UHFFFAOYSA-N 1 2 363.480 -1.158 20 0 FAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC001258408128 794022688 /nfs/dbraw/zinc/02/26/88/794022688.db2.gz PSOCNPQRCMPXNQ-CHWSQXEVSA-N 1 2 356.423 -2.125 20 0 FAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC001258408129 794022950 /nfs/dbraw/zinc/02/29/50/794022950.db2.gz PSOCNPQRCMPXNQ-OLZOCXBDSA-N 1 2 356.423 -2.125 20 0 FAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC001258408130 794022862 /nfs/dbraw/zinc/02/28/62/794022862.db2.gz PSOCNPQRCMPXNQ-QWHCGFSZSA-N 1 2 356.423 -2.125 20 0 FAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC001258408131 794023022 /nfs/dbraw/zinc/02/30/22/794023022.db2.gz PSOCNPQRCMPXNQ-STQMWFEESA-N 1 2 356.423 -2.125 20 0 FAADLO C[C@H](CS(C)(=O)=O)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001258459653 794023297 /nfs/dbraw/zinc/02/32/97/794023297.db2.gz TZVQUKYOOBMJPG-GFCCVEGCSA-N 1 2 350.485 -1.513 20 0 FAADLO C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001258459654 794023502 /nfs/dbraw/zinc/02/35/02/794023502.db2.gz TZVQUKYOOBMJPG-LBPRGKRZSA-N 1 2 350.485 -1.513 20 0 FAADLO Cn1nnc(CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)n1 ZINC001259464953 794026935 /nfs/dbraw/zinc/02/69/35/794026935.db2.gz UDIKLKPNGDNCRY-NEPJUHHUSA-N 1 2 351.411 -1.414 20 0 FAADLO Cn1nnc(CNC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)n1 ZINC001259464954 794027270 /nfs/dbraw/zinc/02/72/70/794027270.db2.gz UDIKLKPNGDNCRY-NWDGAFQWSA-N 1 2 351.411 -1.414 20 0 FAADLO Cn1nnc(CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)n1 ZINC001259464955 794027162 /nfs/dbraw/zinc/02/71/62/794027162.db2.gz UDIKLKPNGDNCRY-RYUDHWBXSA-N 1 2 351.411 -1.414 20 0 FAADLO Cn1nnc(CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)n1 ZINC001259464956 794027458 /nfs/dbraw/zinc/02/74/58/794027458.db2.gz UDIKLKPNGDNCRY-VXGBXAGGSA-N 1 2 351.411 -1.414 20 0 FAADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(S(N)(=O)=O)C2 ZINC001260076855 794029673 /nfs/dbraw/zinc/02/96/73/794029673.db2.gz AJXCUZVAGGCLKX-GFCCVEGCSA-N 1 2 359.452 -1.128 20 0 FAADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(S(N)(=O)=O)C2 ZINC001260076856 794029305 /nfs/dbraw/zinc/02/93/05/794029305.db2.gz AJXCUZVAGGCLKX-LBPRGKRZSA-N 1 2 359.452 -1.128 20 0 FAADLO COCC[N@H+]1CCO[C@@H]2CN(S(=O)(=O)CS(C)(=O)=O)CC[C@@H]2C1 ZINC001260586644 794031175 /nfs/dbraw/zinc/03/11/75/794031175.db2.gz KNGROYDXFFTILA-CHWSQXEVSA-N 1 2 370.493 -1.013 20 0 FAADLO COCC[N@@H+]1CCO[C@@H]2CN(S(=O)(=O)CS(C)(=O)=O)CC[C@@H]2C1 ZINC001260586644 794031172 /nfs/dbraw/zinc/03/11/72/794031172.db2.gz KNGROYDXFFTILA-CHWSQXEVSA-N 1 2 370.493 -1.013 20 0 FAADLO COC(=O)[C@H](CCc1cn(C)c[nH+]1)NS(=O)(=O)CS(C)(=O)=O ZINC001260598388 794031913 /nfs/dbraw/zinc/03/19/13/794031913.db2.gz YLODEZXQCYEOEN-JTQLQIEISA-N 1 2 353.422 -1.184 20 0 FAADLO COCCN(CC[NH+](C)C)C(=O)C(=O)NCC(C)(C)S(C)(=O)=O ZINC001261149347 794034632 /nfs/dbraw/zinc/03/46/32/794034632.db2.gz ZCTSHAAJRWYDFR-UHFFFAOYSA-N 1 2 351.469 -1.038 20 0 FAADLO CS(=O)(=O)N1CC(CNC(=O)C(=O)NCCCCn2cc[nH+]c2)C1 ZINC001261155608 794034935 /nfs/dbraw/zinc/03/49/35/794034935.db2.gz NHPZEULIWYUVCQ-UHFFFAOYSA-N 1 2 357.436 -1.213 20 0 FAADLO CCS(=O)(=O)NCCC[NH2+]Cc1nccn1S(=O)(=O)N(C)C ZINC001261206590 794038363 /nfs/dbraw/zinc/03/83/63/794038363.db2.gz UFWNGNNSOGCNHH-UHFFFAOYSA-N 1 2 353.470 -1.043 20 0 FAADLO O=C(N1CC[NH+](C[C@@H](O)CN2C(=O)CCC2=O)CC1)[C@]12C[C@H]1COC2 ZINC001261283282 794039280 /nfs/dbraw/zinc/03/92/80/794039280.db2.gz OSPHZDASMYIQNQ-AHIWAGSCSA-N 1 2 351.403 -1.323 20 0 FAADLO O=C(N1CC[NH+](C[C@H](O)CN2C(=O)CCC2=O)CC1)[C@]12C[C@H]1COC2 ZINC001261283283 794039731 /nfs/dbraw/zinc/03/97/31/794039731.db2.gz OSPHZDASMYIQNQ-DCGLDWPTSA-N 1 2 351.403 -1.323 20 0 FAADLO CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)CC1 ZINC001261305023 794039514 /nfs/dbraw/zinc/03/95/14/794039514.db2.gz KXCOUXRZIBNGNQ-UHFFFAOYSA-N 1 2 353.423 -2.044 20 0 FAADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]2C(=O)NC2CC2)CC1 ZINC001261310138 794039581 /nfs/dbraw/zinc/03/95/81/794039581.db2.gz GRRPPQVLYSUDMI-GXTWGEPZSA-N 1 2 352.435 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FAADLO CC[C@@H](C(N)=O)[NH+]1CC2(CN(C(=O)[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)C2)C1 ZINC001280212726 794120612 /nfs/dbraw/zinc/12/06/12/794120612.db2.gz DRDWTUJYXUXLIN-YKZKYBHHSA-N 1 2 359.379 -3.806 20 0 FAADLO CC[C@H](C(N)=O)[NH+]1CC2(CN(C(=O)[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)C2)C1 ZINC001280212727 794120460 /nfs/dbraw/zinc/12/04/60/794120460.db2.gz DRDWTUJYXUXLIN-YUXIFNINSA-N 1 2 359.379 -3.806 20 0 FAADLO CC[C@H](C(N)=O)N1CC[N@@H+](CC(=O)N(C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001280212808 794120553 /nfs/dbraw/zinc/12/05/53/794120553.db2.gz FPYHZOFTLYRKGX-CXAGYDPISA-N 1 2 353.467 -1.005 20 0 FAADLO CC[C@H](C(N)=O)N1CC[N@H+](CC(=O)N(C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001280212808 794120547 /nfs/dbraw/zinc/12/05/47/794120547.db2.gz FPYHZOFTLYRKGX-CXAGYDPISA-N 1 2 353.467 -1.005 20 0 FAADLO CC[C@H](C(N)=O)[N@H+]1CCN(CC(=O)N(C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001280212808 794120543 /nfs/dbraw/zinc/12/05/43/794120543.db2.gz FPYHZOFTLYRKGX-CXAGYDPISA-N 1 2 353.467 -1.005 20 0 FAADLO CC[C@H](C(N)=O)[N@@H+]1CCN(CC(=O)N(C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001280212808 794120542 /nfs/dbraw/zinc/12/05/42/794120542.db2.gz FPYHZOFTLYRKGX-CXAGYDPISA-N 1 2 353.467 -1.005 20 0 FAADLO CC[C@H](C(N)=O)N1CC[N@@H+](CC(=O)N(C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001280212810 794120635 /nfs/dbraw/zinc/12/06/35/794120635.db2.gz FPYHZOFTLYRKGX-DYVFJYSZSA-N 1 2 353.467 -1.005 20 0 FAADLO CC[C@H](C(N)=O)N1CC[N@H+](CC(=O)N(C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001280212810 794120630 /nfs/dbraw/zinc/12/06/30/794120630.db2.gz FPYHZOFTLYRKGX-DYVFJYSZSA-N 1 2 353.467 -1.005 20 0 FAADLO CC[C@H](C(N)=O)[N@H+]1CCN(CC(=O)N(C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001280212810 794120625 /nfs/dbraw/zinc/12/06/25/794120625.db2.gz FPYHZOFTLYRKGX-DYVFJYSZSA-N 1 2 353.467 -1.005 20 0 FAADLO CC[C@H](C(N)=O)[N@@H+]1CCN(CC(=O)N(C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001280212810 794120622 /nfs/dbraw/zinc/12/06/22/794120622.db2.gz FPYHZOFTLYRKGX-DYVFJYSZSA-N 1 2 353.467 -1.005 20 0 FAADLO CC[C@@H](C(N)=O)N1CC[N@@H+](CC(=O)N(C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001280212812 794120396 /nfs/dbraw/zinc/12/03/96/794120396.db2.gz FPYHZOFTLYRKGX-GUYCJALGSA-N 1 2 353.467 -1.005 20 0 FAADLO CC[C@@H](C(N)=O)N1CC[N@H+](CC(=O)N(C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001280212812 794120392 /nfs/dbraw/zinc/12/03/92/794120392.db2.gz FPYHZOFTLYRKGX-GUYCJALGSA-N 1 2 353.467 -1.005 20 0 FAADLO CC[C@@H](C(N)=O)[N@H+]1CCN(CC(=O)N(C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001280212812 794120387 /nfs/dbraw/zinc/12/03/87/794120387.db2.gz FPYHZOFTLYRKGX-GUYCJALGSA-N 1 2 353.467 -1.005 20 0 FAADLO CC[C@@H](C(N)=O)[N@@H+]1CCN(CC(=O)N(C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001280212812 794120383 /nfs/dbraw/zinc/12/03/83/794120383.db2.gz FPYHZOFTLYRKGX-GUYCJALGSA-N 1 2 353.467 -1.005 20 0 FAADLO CC[C@@H](C(N)=O)N1CC[N@@H+](CC(=O)N(C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001280212814 794120602 /nfs/dbraw/zinc/12/06/02/794120602.db2.gz FPYHZOFTLYRKGX-SUMWQHHRSA-N 1 2 353.467 -1.005 20 0 FAADLO CC[C@@H](C(N)=O)N1CC[N@H+](CC(=O)N(C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001280212814 794120595 /nfs/dbraw/zinc/12/05/95/794120595.db2.gz FPYHZOFTLYRKGX-SUMWQHHRSA-N 1 2 353.467 -1.005 20 0 FAADLO CC[C@@H](C(N)=O)[N@H+]1CCN(CC(=O)N(C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001280212814 794120593 /nfs/dbraw/zinc/12/05/93/794120593.db2.gz FPYHZOFTLYRKGX-SUMWQHHRSA-N 1 2 353.467 -1.005 20 0 FAADLO CC[C@@H](C(N)=O)[N@@H+]1CCN(CC(=O)N(C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001280212814 794120587 /nfs/dbraw/zinc/12/05/87/794120587.db2.gz FPYHZOFTLYRKGX-SUMWQHHRSA-N 1 2 353.467 -1.005 20 0 FAADLO CCNC(=O)CN1CC[N@@H+](CC(=O)N(C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001280214187 794120712 /nfs/dbraw/zinc/12/07/12/794120712.db2.gz AYLIRPOZAIEBPB-KRWDZBQOSA-N 1 2 353.467 -1.133 20 0 FAADLO CCNC(=O)CN1CC[N@H+](CC(=O)N(C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001280214187 794120709 /nfs/dbraw/zinc/12/07/09/794120709.db2.gz AYLIRPOZAIEBPB-KRWDZBQOSA-N 1 2 353.467 -1.133 20 0 FAADLO CCNC(=O)CN1CC[N@@H+](CC(=O)N(C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001280214190 794120663 /nfs/dbraw/zinc/12/06/63/794120663.db2.gz AYLIRPOZAIEBPB-QGZVFWFLSA-N 1 2 353.467 -1.133 20 0 FAADLO CCNC(=O)CN1CC[N@H+](CC(=O)N(C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001280214190 794120658 /nfs/dbraw/zinc/12/06/58/794120658.db2.gz AYLIRPOZAIEBPB-QGZVFWFLSA-N 1 2 353.467 -1.133 20 0 FAADLO Cn1c[nH+]cc1CN1CCn2c(nnc2C(=O)NCCS(C)(=O)=O)C1 ZINC001280290652 794121463 /nfs/dbraw/zinc/12/14/63/794121463.db2.gz BYDQYQMDAVIZMH-UHFFFAOYSA-N 1 2 367.435 -1.198 20 0 FAADLO Cn1c[nH+]cc1CN1C[C@@H]2C(C(=O)NCCS(C)(=O)=O)=NO[C@@H]2C1 ZINC001280291608 794121218 /nfs/dbraw/zinc/12/12/18/794121218.db2.gz WBJKYMWHRXTSGC-NWDGAFQWSA-N 1 2 355.420 -1.233 20 0 FAADLO C[C@@H]1OCCO[C@@H]1C(=O)N1CC(CCO)(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001280562042 794125343 /nfs/dbraw/zinc/12/53/43/794125343.db2.gz LRNOMEVZYFIJPN-FZMZJTMJSA-N 1 2 352.391 -1.164 20 0 FAADLO COC(=O)NCC(=O)NC[C@H](CO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001281064233 794127620 /nfs/dbraw/zinc/12/76/20/794127620.db2.gz RGVDKSWECGJGKI-GMTAPVOTSA-N 1 2 353.379 -1.527 20 0 FAADLO COC(=O)NCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001281064235 794127063 /nfs/dbraw/zinc/12/70/63/794127063.db2.gz RGVDKSWECGJGKI-HBNTYKKESA-N 1 2 353.379 -1.527 20 0 FAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](CO)CNC(=O)C1CS(=O)(=O)C1 ZINC001281083640 794127450 /nfs/dbraw/zinc/12/74/50/794127450.db2.gz ZMEFSBMBSPCVPT-IJLUTSLNSA-N 1 2 370.431 -1.839 20 0 FAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H](CO)CNC(=O)C1CS(=O)(=O)C1 ZINC001281083644 794127561 /nfs/dbraw/zinc/12/75/61/794127561.db2.gz ZMEFSBMBSPCVPT-QJPTWQEYSA-N 1 2 370.431 -1.839 20 0 FAADLO O=C(NCC(F)F)C(=O)NC[C@@H](CO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001281094354 794128317 /nfs/dbraw/zinc/12/83/17/794128317.db2.gz RULUDHDHAWNJOV-DJLDLDEBSA-N 1 2 359.333 -1.512 20 0 FAADLO O=C(NCC(F)F)C(=O)NC[C@@H](CO)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001281094354 794128314 /nfs/dbraw/zinc/12/83/14/794128314.db2.gz RULUDHDHAWNJOV-DJLDLDEBSA-N 1 2 359.333 -1.512 20 0 FAADLO O=C(NCC(F)F)C(=O)NC[C@H](CO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001281094357 794128990 /nfs/dbraw/zinc/12/89/90/794128990.db2.gz RULUDHDHAWNJOV-IWSPIJDZSA-N 1 2 359.333 -1.512 20 0 FAADLO O=C(NCC(F)F)C(=O)NC[C@H](CO)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001281094357 794128986 /nfs/dbraw/zinc/12/89/86/794128986.db2.gz RULUDHDHAWNJOV-IWSPIJDZSA-N 1 2 359.333 -1.512 20 0 FAADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@H](CO)CNC(=O)CCc1c[nH+]cn1C ZINC001281109130 794129649 /nfs/dbraw/zinc/12/96/49/794129649.db2.gz UGIDBWCMKAWYBV-HUBLWGQQSA-N 1 2 354.407 -1.250 20 0 FAADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H](CO)CNC(=O)CCc1c[nH+]cn1C ZINC001281109131 794129663 /nfs/dbraw/zinc/12/96/63/794129663.db2.gz UGIDBWCMKAWYBV-ZOWXZIJZSA-N 1 2 354.407 -1.250 20 0 FAADLO O=C(Cc1[nH]cc[nH+]1)N[C@H](CO)CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001281109569 794129774 /nfs/dbraw/zinc/12/97/74/794129774.db2.gz UUWCJORVMHYUMS-JUFZMCDQSA-N 1 2 352.391 -1.403 20 0 FAADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H](CO)CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001281109574 794129854 /nfs/dbraw/zinc/12/98/54/794129854.db2.gz UUWCJORVMHYUMS-OZTPJHRESA-N 1 2 352.391 -1.403 20 0 FAADLO O=C(N[C@H](CO)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C(F)F ZINC001281109600 794129958 /nfs/dbraw/zinc/12/99/58/794129958.db2.gz VIDTWLDAALGHON-TUAOUCFPSA-N 1 2 365.377 -1.275 20 0 FAADLO O=C(N[C@@H](CO)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C(F)F ZINC001281109601 794129614 /nfs/dbraw/zinc/12/96/14/794129614.db2.gz VIDTWLDAALGHON-UTUOFQBUSA-N 1 2 365.377 -1.275 20 0 FAADLO Cc1cn(C(C)(C)C(=O)N[C@H](CO)CNC(=O)[C@H]2C[C@H]2C(N)=O)c[nH+]1 ZINC001281115814 794129413 /nfs/dbraw/zinc/12/94/13/794129413.db2.gz MDWKGMMQAXHEOB-TUAOUCFPSA-N 1 2 351.407 -1.359 20 0 FAADLO Cc1cn(C(C)(C)C(=O)N[C@@H](CO)CNC(=O)[C@H]2C[C@H]2C(N)=O)c[nH+]1 ZINC001281115815 794129804 /nfs/dbraw/zinc/12/98/04/794129804.db2.gz MDWKGMMQAXHEOB-UTUOFQBUSA-N 1 2 351.407 -1.359 20 0 FAADLO CNC(=O)NCC(=O)N(C)C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001281257352 794131520 /nfs/dbraw/zinc/13/15/20/794131520.db2.gz UIDJWCLAAJQXFB-GMTAPVOTSA-N 1 2 352.395 -1.622 20 0 FAADLO CNC(=O)NCC(=O)N(C)C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001281257352 794131515 /nfs/dbraw/zinc/13/15/15/794131515.db2.gz UIDJWCLAAJQXFB-GMTAPVOTSA-N 1 2 352.395 -1.622 20 0 FAADLO CNC(=O)NCC(=O)N(C)C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001281257353 794131454 /nfs/dbraw/zinc/13/14/54/794131454.db2.gz UIDJWCLAAJQXFB-HBNTYKKESA-N 1 2 352.395 -1.622 20 0 FAADLO CNC(=O)NCC(=O)N(C)C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001281257353 794131449 /nfs/dbraw/zinc/13/14/49/794131449.db2.gz UIDJWCLAAJQXFB-HBNTYKKESA-N 1 2 352.395 -1.622 20 0 FAADLO CN(C[C@H](O)CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C(=O)Cn1cc[nH+]c1 ZINC001281260196 794131390 /nfs/dbraw/zinc/13/13/90/794131390.db2.gz YGJHDOKHQJKFLS-GRYCIOLGSA-N 1 2 353.379 -2.149 20 0 FAADLO 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